USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 980 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot -77:sc= 0.136 USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 79 GLN : amide:sc= -3.35! C(o=-3!,f=-13!) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 162:sc= 0.322 (180deg=0) USER MOD Set 3.1: A 45 SER OG : rot -145:sc= 0.127 USER MOD Set 3.2: A 111 ASN : amide:sc= 0.337 K(o=0.46,f=-0.34) USER MOD Set 4.1: A 23 SER OG : rot 23:sc= 0.377 USER MOD Set 4.2: A 24 SER OG : rot 180:sc= 0.0268 USER MOD Set 5.1: A 18 THR OG1 : rot 46:sc= 1.14 USER MOD Set 5.2: A 58 MET CE :methyl -173:sc= -1.65 (180deg=-1.84) USER MOD Single : A 1 LYS NZ :NH3+ -151:sc= -0.503 (180deg=-0.913) USER MOD Single : A 5 THR OG1 : rot -33:sc= 0.339 USER MOD Single : A 7 ASN : amide:sc= 0.64 K(o=0.64,f=-10!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -115:sc= -0.0276 (180deg=-1.92!) USER MOD Single : A -3 GLY N :NH3+ -146:sc= 0.528 (180deg=0.162) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.038 (180deg=-0.285) USER MOD Single : A 17 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= 1.95 (180deg=1.15) USER MOD Single : A 30 THR OG1 : rot -58:sc= -0.224 USER MOD Single : A 42 GLN : amide:sc= 1.26 K(o=1.3,f=-0.026) USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= 2.06 (180deg=0.0787) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 0.584 (180deg=0.312) USER MOD Single : A 60 THR OG1 : rot -85:sc= 0.987 USER MOD Single : A 66 SER OG : rot 15:sc= -1.55! USER MOD Single : A 68 ASN :FLIP amide:sc= -0.154 F(o=-0.97,f=-0.15) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -163:sc= -0.138 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.97 F(o=-4.1!,f=-2) USER MOD Single : A 76 THR OG1 : rot -140:sc= -0.914 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -2.27 F(o=-4.6,f=-2.3) USER MOD Single : A 85 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.69) USER MOD Single : A 86 SER OG : rot 88:sc= 1.25 USER MOD Single : A 92 SER OG : rot 180:sc= -0.072 USER MOD Single : A 98 CYS SG : rot 129:sc= -3.17! USER MOD Single : A 101 TYR OH : rot 106:sc= -1.43! USER MOD Single : A 116 THR OG1 : rot -140:sc= -4.47! USER MOD Single : A 117 SER OG : rot 180:sc= -0.113 USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.903) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 97.686 -10.440 -9.587 1.00 0.00 N ATOM 2 CA GLY A -3 98.993 -9.824 -9.353 1.00 0.00 C ATOM 3 C GLY A -3 99.058 -9.269 -7.966 1.00 0.00 C ATOM 4 O GLY A -3 98.029 -9.188 -7.290 1.00 0.00 O ATOM 0 H1 GLY A -3 97.797 -11.262 -10.215 1.00 0.00 H new ATOM 0 H2 GLY A -3 97.281 -10.749 -8.681 1.00 0.00 H new ATOM 0 H3 GLY A -3 97.051 -9.747 -10.032 1.00 0.00 H new ATOM 0 HA2 GLY A -3 99.782 -10.562 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A -3 99.165 -9.030 -10.079 1.00 0.00 H new ATOM 10 N ALA A -2 100.241 -8.895 -7.532 1.00 0.00 N ATOM 11 CA ALA A -2 100.434 -8.352 -6.206 1.00 0.00 C ATOM 12 C ALA A -2 101.151 -7.016 -6.291 1.00 0.00 C ATOM 13 O ALA A -2 101.829 -6.603 -5.387 1.00 0.00 O ATOM 14 CB ALA A -2 101.212 -9.334 -5.333 1.00 0.00 C ATOM 0 H ALA A -2 101.095 -8.958 -8.087 1.00 0.00 H new ATOM 0 HA ALA A -2 99.459 -8.192 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A -2 101.348 -8.908 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A -2 100.658 -10.269 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A -2 102.187 -9.526 -5.781 1.00 0.00 H new ATOM 20 N MET A -1 101.046 -6.389 -7.411 1.00 0.00 N ATOM 21 CA MET A -1 101.599 -5.064 -7.630 1.00 0.00 C ATOM 22 C MET A -1 100.855 -4.496 -8.814 1.00 0.00 C ATOM 23 O MET A -1 101.380 -3.778 -9.667 1.00 0.00 O ATOM 24 CB MET A -1 103.133 -5.140 -7.865 1.00 0.00 C ATOM 25 CG MET A -1 103.826 -3.797 -8.068 1.00 0.00 C ATOM 26 SD MET A -1 105.616 -3.934 -8.210 1.00 0.00 S ATOM 27 CE MET A -1 106.063 -4.267 -6.511 1.00 0.00 C ATOM 0 H MET A -1 100.568 -6.775 -8.225 1.00 0.00 H new ATOM 0 HA MET A -1 101.473 -4.417 -6.762 1.00 0.00 H new ATOM 0 HB2 MET A -1 103.591 -5.642 -7.012 1.00 0.00 H new ATOM 0 HB3 MET A -1 103.320 -5.763 -8.740 1.00 0.00 H new ATOM 0 HG2 MET A -1 103.432 -3.325 -8.968 1.00 0.00 H new ATOM 0 HG3 MET A -1 103.584 -3.141 -7.232 1.00 0.00 H new ATOM 0 HE1 MET A -1 106.655 -3.439 -6.122 1.00 0.00 H new ATOM 0 HE2 MET A -1 105.159 -4.380 -5.912 1.00 0.00 H new ATOM 0 HE3 MET A -1 106.648 -5.186 -6.462 1.00 0.00 H new ATOM 37 N GLY A 0 99.616 -4.860 -8.851 1.00 0.00 N ATOM 38 CA GLY A 0 98.762 -4.528 -9.918 1.00 0.00 C ATOM 39 C GLY A 0 98.018 -5.755 -10.323 1.00 0.00 C ATOM 40 O GLY A 0 98.033 -6.743 -9.585 1.00 0.00 O ATOM 0 H GLY A 0 99.169 -5.410 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 0 98.067 -3.744 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 0 99.338 -4.139 -10.758 1.00 0.00 H new ATOM 44 N LYS A 1 97.399 -5.708 -11.471 1.00 0.00 N ATOM 45 CA LYS A 1 96.588 -6.796 -12.015 1.00 0.00 C ATOM 46 C LYS A 1 95.546 -7.342 -11.001 1.00 0.00 C ATOM 47 O LYS A 1 95.565 -8.537 -10.674 1.00 0.00 O ATOM 48 CB LYS A 1 97.487 -7.921 -12.553 1.00 0.00 C ATOM 49 CG LYS A 1 98.352 -7.548 -13.769 1.00 0.00 C ATOM 50 CD LYS A 1 97.631 -7.707 -15.121 1.00 0.00 C ATOM 51 CE LYS A 1 96.478 -6.742 -15.349 1.00 0.00 C ATOM 52 NZ LYS A 1 96.901 -5.326 -15.350 1.00 0.00 N ATOM 0 H LYS A 1 97.438 -4.893 -12.083 1.00 0.00 H new ATOM 0 HA LYS A 1 96.013 -6.380 -12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 1 98.144 -8.254 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 1 96.857 -8.769 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 1 98.682 -6.515 -13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 1 99.247 -8.170 -13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 1 98.359 -7.576 -15.922 1.00 0.00 H new ATOM 0 HD3 LYS A 1 97.253 -8.726 -15.197 1.00 0.00 H new ATOM 0 HE2 LYS A 1 96.001 -6.973 -16.301 1.00 0.00 H new ATOM 0 HE3 LYS A 1 95.728 -6.891 -14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 96.116 -4.729 -15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 97.716 -5.207 -14.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 97.169 -5.044 -16.315 1.00 0.00 H new ATOM 66 N PRO A 2 94.668 -6.478 -10.435 1.00 0.00 N ATOM 67 CA PRO A 2 93.627 -6.907 -9.525 1.00 0.00 C ATOM 68 C PRO A 2 92.239 -6.872 -10.190 1.00 0.00 C ATOM 69 O PRO A 2 92.109 -6.564 -11.379 1.00 0.00 O ATOM 70 CB PRO A 2 93.721 -5.806 -8.479 1.00 0.00 C ATOM 71 CG PRO A 2 94.027 -4.557 -9.264 1.00 0.00 C ATOM 72 CD PRO A 2 94.656 -4.998 -10.562 1.00 0.00 C ATOM 0 HA PRO A 2 93.745 -7.927 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 2 92.788 -5.706 -7.924 1.00 0.00 H new ATOM 0 HB3 PRO A 2 94.504 -6.018 -7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 2 93.118 -3.986 -9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 2 94.703 -3.908 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 2 94.076 -4.671 -11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 2 95.661 -4.594 -10.682 1.00 0.00 H new ATOM 80 N PHE A 3 91.211 -7.187 -9.423 1.00 0.00 N ATOM 81 CA PHE A 3 89.883 -7.087 -9.886 1.00 0.00 C ATOM 82 C PHE A 3 89.460 -5.686 -9.628 1.00 0.00 C ATOM 83 O PHE A 3 89.205 -5.313 -8.495 1.00 0.00 O ATOM 84 CB PHE A 3 88.998 -8.070 -9.126 1.00 0.00 C ATOM 85 CG PHE A 3 87.524 -7.871 -9.318 1.00 0.00 C ATOM 86 CD1 PHE A 3 86.858 -8.465 -10.362 1.00 0.00 C ATOM 87 CD2 PHE A 3 86.815 -7.093 -8.423 1.00 0.00 C ATOM 88 CE1 PHE A 3 85.495 -8.286 -10.521 1.00 0.00 C ATOM 89 CE2 PHE A 3 85.457 -6.909 -8.566 1.00 0.00 C ATOM 90 CZ PHE A 3 84.793 -7.506 -9.620 1.00 0.00 C ATOM 0 H PHE A 3 91.298 -7.518 -8.462 1.00 0.00 H new ATOM 0 HA PHE A 3 89.801 -7.328 -10.946 1.00 0.00 H new ATOM 0 HB2 PHE A 3 89.256 -9.083 -9.435 1.00 0.00 H new ATOM 0 HB3 PHE A 3 89.225 -7.993 -8.063 1.00 0.00 H new ATOM 0 HD1 PHE A 3 87.403 -9.077 -11.065 1.00 0.00 H new ATOM 0 HD2 PHE A 3 87.332 -6.623 -7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 3 84.980 -8.754 -11.347 1.00 0.00 H new ATOM 0 HE2 PHE A 3 84.914 -6.301 -7.857 1.00 0.00 H new ATOM 0 HZ PHE A 3 83.729 -7.364 -9.740 1.00 0.00 H new ATOM 100 N PHE A 4 89.414 -4.920 -10.635 1.00 0.00 N ATOM 101 CA PHE A 4 89.096 -3.549 -10.495 1.00 0.00 C ATOM 102 C PHE A 4 87.705 -3.307 -11.014 1.00 0.00 C ATOM 103 O PHE A 4 87.360 -3.743 -12.107 1.00 0.00 O ATOM 104 CB PHE A 4 90.090 -2.719 -11.270 1.00 0.00 C ATOM 105 CG PHE A 4 90.232 -1.316 -10.784 1.00 0.00 C ATOM 106 CD1 PHE A 4 89.243 -0.393 -10.940 1.00 0.00 C ATOM 107 CD2 PHE A 4 91.384 -0.932 -10.169 1.00 0.00 C ATOM 108 CE1 PHE A 4 89.417 0.893 -10.469 1.00 0.00 C ATOM 109 CE2 PHE A 4 91.558 0.341 -9.712 1.00 0.00 C ATOM 110 CZ PHE A 4 90.575 1.239 -9.862 1.00 0.00 C ATOM 0 H PHE A 4 89.596 -5.220 -11.593 1.00 0.00 H new ATOM 0 HA PHE A 4 89.141 -3.265 -9.444 1.00 0.00 H new ATOM 0 HB2 PHE A 4 91.064 -3.206 -11.226 1.00 0.00 H new ATOM 0 HB3 PHE A 4 89.790 -2.699 -12.318 1.00 0.00 H new ATOM 0 HD1 PHE A 4 88.322 -0.667 -11.433 1.00 0.00 H new ATOM 0 HD2 PHE A 4 92.179 -1.652 -10.040 1.00 0.00 H new ATOM 0 HE1 PHE A 4 88.629 1.622 -10.585 1.00 0.00 H new ATOM 0 HE2 PHE A 4 92.483 0.624 -9.232 1.00 0.00 H new ATOM 0 HZ PHE A 4 90.708 2.246 -9.496 1.00 0.00 H new ATOM 120 N THR A 5 86.913 -2.627 -10.235 1.00 0.00 N ATOM 121 CA THR A 5 85.560 -2.336 -10.627 1.00 0.00 C ATOM 122 C THR A 5 85.192 -0.903 -10.213 1.00 0.00 C ATOM 123 O THR A 5 84.041 -0.489 -10.259 1.00 0.00 O ATOM 124 CB THR A 5 84.618 -3.398 -10.009 1.00 0.00 C ATOM 125 OG1 THR A 5 83.269 -3.228 -10.429 1.00 0.00 O ATOM 126 CG2 THR A 5 84.703 -3.375 -8.489 1.00 0.00 C ATOM 0 H THR A 5 87.180 -2.262 -9.321 1.00 0.00 H new ATOM 0 HA THR A 5 85.453 -2.387 -11.711 1.00 0.00 H new ATOM 0 HB THR A 5 84.954 -4.370 -10.369 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.084 -2.274 -10.559 1.00 0.00 H new ATOM 0 HG21 THR A 5 84.033 -4.129 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 5 85.726 -3.589 -8.179 1.00 0.00 H new ATOM 0 HG23 THR A 5 84.411 -2.391 -8.123 1.00 0.00 H new ATOM 134 N ARG A 6 86.237 -0.151 -9.858 1.00 0.00 N ATOM 135 CA ARG A 6 86.213 1.283 -9.451 1.00 0.00 C ATOM 136 C ARG A 6 85.230 1.616 -8.319 1.00 0.00 C ATOM 137 O ARG A 6 85.048 2.782 -7.983 1.00 0.00 O ATOM 138 CB ARG A 6 85.922 2.174 -10.654 1.00 0.00 C ATOM 139 CG ARG A 6 86.423 1.617 -11.970 1.00 0.00 C ATOM 140 CD ARG A 6 86.353 2.641 -13.072 1.00 0.00 C ATOM 141 NE ARG A 6 85.003 3.224 -13.218 1.00 0.00 N ATOM 142 CZ ARG A 6 84.261 3.214 -14.338 1.00 0.00 C ATOM 143 NH1 ARG A 6 84.642 2.497 -15.394 1.00 0.00 N ATOM 144 NH2 ARG A 6 83.120 3.900 -14.374 1.00 0.00 N ATOM 0 H ARG A 6 87.182 -0.535 -9.841 1.00 0.00 H new ATOM 0 HA ARG A 6 87.209 1.480 -9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 6 84.846 2.331 -10.724 1.00 0.00 H new ATOM 0 HB3 ARG A 6 86.377 3.151 -10.488 1.00 0.00 H new ATOM 0 HG2 ARG A 6 87.452 1.278 -11.853 1.00 0.00 H new ATOM 0 HG3 ARG A 6 85.830 0.745 -12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 6 87.069 3.437 -12.870 1.00 0.00 H new ATOM 0 HD3 ARG A 6 86.649 2.178 -14.013 1.00 0.00 H new ATOM 0 HE ARG A 6 84.599 3.673 -12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 6 85.502 1.950 -15.356 1.00 0.00 H new ATOM 0 HH12 ARG A 6 84.073 2.494 -16.241 1.00 0.00 H new ATOM 0 HH21 ARG A 6 82.816 4.427 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 6 82.550 3.898 -15.220 1.00 0.00 H new ATOM 158 N ASN A 7 84.633 0.626 -7.723 1.00 0.00 N ATOM 159 CA ASN A 7 83.662 0.871 -6.696 1.00 0.00 C ATOM 160 C ASN A 7 83.940 -0.018 -5.495 1.00 0.00 C ATOM 161 O ASN A 7 83.978 -1.245 -5.612 1.00 0.00 O ATOM 162 CB ASN A 7 82.242 0.616 -7.232 1.00 0.00 C ATOM 163 CG ASN A 7 81.129 1.058 -6.283 1.00 0.00 C ATOM 164 OD1 ASN A 7 81.303 1.133 -5.082 1.00 0.00 O ATOM 165 ND2 ASN A 7 79.978 1.297 -6.809 1.00 0.00 N ATOM 0 H ASN A 7 84.801 -0.359 -7.930 1.00 0.00 H new ATOM 0 HA ASN A 7 83.733 1.914 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 7 82.124 1.138 -8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 7 82.128 -0.448 -7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 7 79.190 1.555 -6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 7 79.855 1.228 -7.819 1.00 0.00 H new ATOM 172 N PRO A 8 84.162 0.611 -4.336 1.00 0.00 N ATOM 173 CA PRO A 8 84.386 -0.073 -3.051 1.00 0.00 C ATOM 174 C PRO A 8 83.216 -0.973 -2.635 1.00 0.00 C ATOM 175 O PRO A 8 83.376 -1.886 -1.835 1.00 0.00 O ATOM 176 CB PRO A 8 84.517 1.056 -2.035 1.00 0.00 C ATOM 177 CG PRO A 8 84.310 2.343 -2.766 1.00 0.00 C ATOM 178 CD PRO A 8 84.262 2.072 -4.214 1.00 0.00 C ATOM 0 HA PRO A 8 85.258 -0.723 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 8 83.780 0.944 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 8 85.500 1.036 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 8 83.383 2.815 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 8 85.118 3.038 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.407 2.564 -4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 8 85.155 2.447 -4.714 1.00 0.00 H new ATOM 186 N SER A 9 82.049 -0.693 -3.158 1.00 0.00 N ATOM 187 CA SER A 9 80.875 -1.478 -2.867 1.00 0.00 C ATOM 188 C SER A 9 80.897 -2.758 -3.704 1.00 0.00 C ATOM 189 O SER A 9 80.423 -3.813 -3.276 1.00 0.00 O ATOM 190 CB SER A 9 79.606 -0.651 -3.171 1.00 0.00 C ATOM 191 OG SER A 9 78.425 -1.345 -2.807 1.00 0.00 O ATOM 0 H SER A 9 81.885 0.085 -3.797 1.00 0.00 H new ATOM 0 HA SER A 9 80.867 -1.749 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 9 79.652 0.296 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 9 79.574 -0.412 -4.234 1.00 0.00 H new ATOM 0 HG SER A 9 77.643 -0.791 -3.012 1.00 0.00 H new ATOM 197 N GLU A 10 81.492 -2.668 -4.874 1.00 0.00 N ATOM 198 CA GLU A 10 81.528 -3.763 -5.820 1.00 0.00 C ATOM 199 C GLU A 10 82.745 -4.654 -5.633 1.00 0.00 C ATOM 200 O GLU A 10 82.738 -5.820 -6.039 1.00 0.00 O ATOM 201 CB GLU A 10 81.489 -3.201 -7.218 1.00 0.00 C ATOM 202 CG GLU A 10 80.184 -2.525 -7.544 1.00 0.00 C ATOM 203 CD GLU A 10 79.061 -3.514 -7.569 1.00 0.00 C ATOM 204 OE1 GLU A 10 79.041 -4.376 -8.480 1.00 0.00 O ATOM 205 OE2 GLU A 10 78.192 -3.477 -6.681 1.00 0.00 O ATOM 0 H GLU A 10 81.968 -1.826 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 10 80.657 -4.394 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.303 -2.486 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.663 -4.006 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.976 -1.751 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.259 -2.029 -8.512 1.00 0.00 H new ATOM 212 N LEU A 11 83.786 -4.103 -5.052 1.00 0.00 N ATOM 213 CA LEU A 11 84.996 -4.854 -4.773 1.00 0.00 C ATOM 214 C LEU A 11 84.821 -5.628 -3.494 1.00 0.00 C ATOM 215 O LEU A 11 84.034 -5.236 -2.630 1.00 0.00 O ATOM 216 CB LEU A 11 86.230 -3.919 -4.701 1.00 0.00 C ATOM 217 CG LEU A 11 87.522 -4.540 -4.195 1.00 0.00 C ATOM 218 CD1 LEU A 11 88.052 -5.557 -5.174 1.00 0.00 C ATOM 219 CD2 LEU A 11 88.551 -3.474 -3.852 1.00 0.00 C ATOM 0 H LEU A 11 83.822 -3.127 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 11 85.174 -5.556 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 11 86.412 -3.517 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 11 85.982 -3.075 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 11 87.304 -5.072 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 88.977 -5.986 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 11 87.315 -6.348 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 11 88.248 -5.073 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 11 89.463 -3.951 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 11 88.775 -2.885 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 11 88.153 -2.821 -3.075 1.00 0.00 H new ATOM 231 N LYS A 12 85.529 -6.733 -3.369 1.00 0.00 N ATOM 232 CA LYS A 12 85.422 -7.535 -2.236 1.00 0.00 C ATOM 233 C LYS A 12 86.691 -7.507 -1.483 1.00 0.00 C ATOM 234 O LYS A 12 87.789 -7.445 -2.057 1.00 0.00 O ATOM 235 CB LYS A 12 85.043 -8.911 -2.613 1.00 0.00 C ATOM 236 CG LYS A 12 83.825 -8.904 -3.472 1.00 0.00 C ATOM 237 CD LYS A 12 83.310 -10.280 -3.758 1.00 0.00 C ATOM 238 CE LYS A 12 82.136 -10.230 -4.724 1.00 0.00 C ATOM 239 NZ LYS A 12 81.532 -11.560 -4.942 1.00 0.00 N ATOM 0 H LYS A 12 86.187 -7.074 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 12 84.636 -7.145 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 12 85.866 -9.388 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 12 84.858 -9.502 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 12 83.044 -8.323 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 12 84.052 -8.403 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 12 84.108 -10.891 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 12 83.001 -10.758 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 12 81.379 -9.549 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 12 82.471 -9.825 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 80.737 -11.475 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 82.246 -12.205 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 81.187 -11.937 -4.036 1.00 0.00 H new ATOM 253 N GLY A 13 86.536 -7.559 -0.245 1.00 0.00 N ATOM 254 CA GLY A 13 87.611 -7.407 0.686 1.00 0.00 C ATOM 255 C GLY A 13 87.031 -6.922 1.979 1.00 0.00 C ATOM 256 O GLY A 13 85.801 -6.795 2.083 1.00 0.00 O ATOM 0 H GLY A 13 85.630 -7.714 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 13 88.128 -8.356 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 13 88.347 -6.698 0.307 1.00 0.00 H new ATOM 260 N LYS A 14 87.840 -6.681 2.956 1.00 0.00 N ATOM 261 CA LYS A 14 87.344 -6.076 4.156 1.00 0.00 C ATOM 262 C LYS A 14 87.667 -4.628 4.042 1.00 0.00 C ATOM 263 O LYS A 14 88.828 -4.261 3.940 1.00 0.00 O ATOM 264 CB LYS A 14 88.011 -6.619 5.408 1.00 0.00 C ATOM 265 CG LYS A 14 87.047 -6.848 6.576 1.00 0.00 C ATOM 266 CD LYS A 14 86.140 -5.662 6.916 1.00 0.00 C ATOM 267 CE LYS A 14 86.872 -4.614 7.720 1.00 0.00 C ATOM 268 NZ LYS A 14 87.201 -5.074 9.091 1.00 0.00 N ATOM 0 H LYS A 14 88.838 -6.889 2.953 1.00 0.00 H new ATOM 0 HA LYS A 14 86.278 -6.282 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 14 88.503 -7.561 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 14 88.790 -5.924 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 14 86.420 -7.709 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 14 87.629 -7.105 7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 14 85.762 -5.217 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 14 85.275 -6.014 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 14 87.791 -4.341 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 14 86.260 -3.714 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 87.400 -4.251 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 86.396 -5.604 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 88.038 -5.690 9.059 1.00 0.00 H new ATOM 282 N PHE A 15 86.697 -3.817 4.100 1.00 0.00 N ATOM 283 CA PHE A 15 86.920 -2.420 3.876 1.00 0.00 C ATOM 284 C PHE A 15 86.988 -1.719 5.170 1.00 0.00 C ATOM 285 O PHE A 15 86.078 -1.778 5.994 1.00 0.00 O ATOM 286 CB PHE A 15 85.931 -1.799 2.916 1.00 0.00 C ATOM 287 CG PHE A 15 86.048 -2.321 1.505 1.00 0.00 C ATOM 288 CD1 PHE A 15 85.445 -3.505 1.144 1.00 0.00 C ATOM 289 CD2 PHE A 15 86.725 -1.602 0.533 1.00 0.00 C ATOM 290 CE1 PHE A 15 85.516 -3.970 -0.150 1.00 0.00 C ATOM 291 CE2 PHE A 15 86.785 -2.058 -0.769 1.00 0.00 C ATOM 292 CZ PHE A 15 86.183 -3.241 -1.109 1.00 0.00 C ATOM 0 H PHE A 15 85.731 -4.077 4.300 1.00 0.00 H new ATOM 0 HA PHE A 15 87.881 -2.308 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 15 84.920 -1.983 3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 15 86.075 -0.719 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 15 84.909 -4.077 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 15 87.211 -0.674 0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 15 85.048 -4.907 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 15 87.306 -1.482 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 15 86.232 -3.601 -2.126 1.00 0.00 H new ATOM 302 N ILE A 16 88.098 -1.141 5.375 1.00 0.00 N ATOM 303 CA ILE A 16 88.467 -0.571 6.620 1.00 0.00 C ATOM 304 C ILE A 16 88.670 0.902 6.486 1.00 0.00 C ATOM 305 O ILE A 16 89.200 1.386 5.483 1.00 0.00 O ATOM 306 CB ILE A 16 89.736 -1.281 7.108 1.00 0.00 C ATOM 307 CG1 ILE A 16 89.388 -2.757 7.092 1.00 0.00 C ATOM 308 CG2 ILE A 16 90.086 -0.811 8.521 1.00 0.00 C ATOM 309 CD1 ILE A 16 90.489 -3.732 7.163 1.00 0.00 C ATOM 0 H ILE A 16 88.813 -1.042 4.655 1.00 0.00 H new ATOM 0 HA ILE A 16 87.673 -0.709 7.354 1.00 0.00 H new ATOM 0 HB ILE A 16 90.604 -1.068 6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 16 88.718 -2.950 7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 16 88.825 -2.956 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.988 -1.320 8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 16 90.257 0.265 8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 16 89.262 -1.043 9.196 1.00 0.00 H new ATOM 0 HD11 ILE A 16 90.082 -4.743 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 16 91.155 -3.591 6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 16 91.046 -3.585 8.088 1.00 0.00 H new ATOM 321 N HIS A 17 88.250 1.598 7.481 1.00 0.00 N ATOM 322 CA HIS A 17 88.277 3.004 7.479 1.00 0.00 C ATOM 323 C HIS A 17 89.373 3.464 8.409 1.00 0.00 C ATOM 324 O HIS A 17 89.442 3.049 9.579 1.00 0.00 O ATOM 325 CB HIS A 17 86.924 3.481 7.925 1.00 0.00 C ATOM 326 CG HIS A 17 86.642 4.931 7.679 1.00 0.00 C ATOM 327 ND1 HIS A 17 86.148 5.784 8.636 1.00 0.00 N ATOM 328 CD2 HIS A 17 86.729 5.659 6.538 1.00 0.00 C ATOM 329 CE1 HIS A 17 85.951 6.974 8.063 1.00 0.00 C ATOM 330 NE2 HIS A 17 86.290 6.952 6.790 1.00 0.00 N ATOM 0 H HIS A 17 87.871 1.190 8.335 1.00 0.00 H new ATOM 0 HA HIS A 17 88.486 3.412 6.490 1.00 0.00 H new ATOM 0 HB2 HIS A 17 86.163 2.889 7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 17 86.821 3.284 8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 17 87.083 5.292 5.586 1.00 0.00 H new ATOM 0 HE1 HIS A 17 85.564 7.842 8.576 1.00 0.00 H new ATOM 0 HE2 HIS A 17 86.240 7.725 6.127 1.00 0.00 H new ATOM 338 N THR A 18 90.217 4.271 7.890 1.00 0.00 N ATOM 339 CA THR A 18 91.371 4.742 8.579 1.00 0.00 C ATOM 340 C THR A 18 91.520 6.206 8.302 1.00 0.00 C ATOM 341 O THR A 18 90.914 6.699 7.419 1.00 0.00 O ATOM 342 CB THR A 18 92.647 3.979 8.122 1.00 0.00 C ATOM 343 OG1 THR A 18 93.812 4.416 8.857 1.00 0.00 O ATOM 344 CG2 THR A 18 92.894 4.153 6.632 1.00 0.00 C ATOM 0 H THR A 18 90.127 4.639 6.943 1.00 0.00 H new ATOM 0 HA THR A 18 91.249 4.568 9.648 1.00 0.00 H new ATOM 0 HB THR A 18 92.474 2.923 8.329 1.00 0.00 H new ATOM 0 HG1 THR A 18 93.596 4.467 9.812 1.00 0.00 H new ATOM 0 HG21 THR A 18 93.793 3.607 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 18 92.041 3.766 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 18 93.025 5.211 6.406 1.00 0.00 H new ATOM 352 N LYS A 19 92.187 6.882 9.131 1.00 0.00 N ATOM 353 CA LYS A 19 92.524 8.258 8.922 1.00 0.00 C ATOM 354 C LYS A 19 93.975 8.381 9.174 1.00 0.00 C ATOM 355 O LYS A 19 94.462 8.028 10.240 1.00 0.00 O ATOM 356 CB LYS A 19 91.684 9.158 9.820 1.00 0.00 C ATOM 357 CG LYS A 19 92.106 10.612 9.834 1.00 0.00 C ATOM 358 CD LYS A 19 91.286 11.427 10.807 1.00 0.00 C ATOM 359 CE LYS A 19 91.556 11.010 12.245 1.00 0.00 C ATOM 360 NZ LYS A 19 90.657 11.696 13.189 1.00 0.00 N ATOM 0 H LYS A 19 92.536 6.502 10.011 1.00 0.00 H new ATOM 0 HA LYS A 19 92.305 8.581 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 19 90.644 9.099 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 19 91.726 8.772 10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 19 93.161 10.681 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 19 92.002 11.030 8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 19 91.518 12.485 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 19 90.226 11.305 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 19 91.430 9.932 12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 19 92.592 11.234 12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 90.870 11.387 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 90.795 12.724 13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 89.670 11.462 12.961 1.00 0.00 H new ATOM 374 N LEU A 20 94.674 8.860 8.201 1.00 0.00 N ATOM 375 CA LEU A 20 96.090 8.898 8.301 1.00 0.00 C ATOM 376 C LEU A 20 96.504 10.306 8.509 1.00 0.00 C ATOM 377 O LEU A 20 96.245 11.170 7.679 1.00 0.00 O ATOM 378 CB LEU A 20 96.751 8.321 7.033 1.00 0.00 C ATOM 379 CG LEU A 20 98.161 7.682 7.193 1.00 0.00 C ATOM 380 CD1 LEU A 20 99.176 8.606 7.808 1.00 0.00 C ATOM 381 CD2 LEU A 20 98.073 6.439 8.018 1.00 0.00 C ATOM 0 H LEU A 20 94.288 9.229 7.332 1.00 0.00 H new ATOM 0 HA LEU A 20 96.413 8.284 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.083 7.566 6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.825 9.121 6.297 1.00 0.00 H new ATOM 0 HG LEU A 20 98.502 7.455 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 20 100.134 8.092 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 20 99.290 9.491 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.841 8.906 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 20 99.066 6.001 8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.678 6.684 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 97.411 5.724 7.530 1.00 0.00 H new ATOM 393 N ARG A 21 97.095 10.540 9.627 1.00 0.00 N ATOM 394 CA ARG A 21 97.590 11.813 9.968 1.00 0.00 C ATOM 395 C ARG A 21 98.834 12.104 9.184 1.00 0.00 C ATOM 396 O ARG A 21 99.878 11.496 9.425 1.00 0.00 O ATOM 397 CB ARG A 21 97.900 11.881 11.460 1.00 0.00 C ATOM 398 CG ARG A 21 98.525 13.199 11.915 1.00 0.00 C ATOM 399 CD ARG A 21 98.987 13.122 13.359 1.00 0.00 C ATOM 400 NE ARG A 21 100.136 12.209 13.550 1.00 0.00 N ATOM 401 CZ ARG A 21 100.492 11.664 14.730 1.00 0.00 C ATOM 402 NH1 ARG A 21 99.699 11.791 15.793 1.00 0.00 N ATOM 403 NH2 ARG A 21 101.629 10.975 14.835 1.00 0.00 N ATOM 0 H ARG A 21 97.248 9.830 10.343 1.00 0.00 H new ATOM 0 HA ARG A 21 96.829 12.556 9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 21 96.978 11.718 12.018 1.00 0.00 H new ATOM 0 HB3 ARG A 21 98.576 11.065 11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 21 99.371 13.443 11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 21 97.799 14.005 11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 21 99.262 14.120 13.700 1.00 0.00 H new ATOM 0 HD3 ARG A 21 98.158 12.789 13.983 1.00 0.00 H new ATOM 0 HE ARG A 21 100.698 11.976 12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 21 98.820 12.302 15.715 1.00 0.00 H new ATOM 0 HH12 ARG A 21 99.971 11.377 16.685 1.00 0.00 H new ATOM 0 HH21 ARG A 21 102.232 10.859 14.021 1.00 0.00 H new ATOM 0 HH22 ARG A 21 101.895 10.564 15.730 1.00 0.00 H new ATOM 417 N LYS A 22 98.703 12.962 8.198 1.00 0.00 N ATOM 418 CA LYS A 22 99.832 13.511 7.532 1.00 0.00 C ATOM 419 C LYS A 22 100.561 14.321 8.581 1.00 0.00 C ATOM 420 O LYS A 22 100.201 15.407 8.868 1.00 0.00 O ATOM 421 CB LYS A 22 99.357 14.385 6.333 1.00 0.00 C ATOM 422 CG LYS A 22 100.468 15.087 5.574 1.00 0.00 C ATOM 423 CD LYS A 22 100.100 15.475 4.152 1.00 0.00 C ATOM 424 CE LYS A 22 101.337 15.998 3.426 1.00 0.00 C ATOM 425 NZ LYS A 22 101.124 16.235 1.998 1.00 0.00 N ATOM 0 H LYS A 22 97.804 13.291 7.845 1.00 0.00 H new ATOM 0 HA LYS A 22 100.492 12.752 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 22 98.805 13.753 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 22 98.659 15.136 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 22 100.756 15.985 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 22 101.342 14.436 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 22 99.693 14.613 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 22 99.322 16.239 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 22 101.657 16.928 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 22 102.150 15.282 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 102.043 16.340 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 100.611 15.430 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 100.567 17.104 1.870 1.00 0.00 H new ATOM 439 N SER A 23 101.550 13.723 9.153 1.00 0.00 N ATOM 440 CA SER A 23 102.315 14.271 10.235 1.00 0.00 C ATOM 441 C SER A 23 103.413 15.175 9.661 1.00 0.00 C ATOM 442 O SER A 23 103.253 15.712 8.560 1.00 0.00 O ATOM 443 CB SER A 23 102.899 13.079 11.036 1.00 0.00 C ATOM 444 OG SER A 23 103.526 13.484 12.247 1.00 0.00 O ATOM 0 H SER A 23 101.866 12.796 8.870 1.00 0.00 H new ATOM 0 HA SER A 23 101.706 14.882 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 23 102.100 12.374 11.264 1.00 0.00 H new ATOM 0 HB3 SER A 23 103.623 12.550 10.416 1.00 0.00 H new ATOM 0 HG SER A 23 103.168 14.352 12.527 1.00 0.00 H new ATOM 450 N SER A 24 104.487 15.352 10.398 1.00 0.00 N ATOM 451 CA SER A 24 105.621 16.145 9.977 1.00 0.00 C ATOM 452 C SER A 24 106.202 15.572 8.669 1.00 0.00 C ATOM 453 O SER A 24 106.608 16.309 7.769 1.00 0.00 O ATOM 454 CB SER A 24 106.651 16.094 11.091 1.00 0.00 C ATOM 455 OG SER A 24 106.014 16.329 12.353 1.00 0.00 O ATOM 0 H SER A 24 104.599 14.941 11.325 1.00 0.00 H new ATOM 0 HA SER A 24 105.327 17.177 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 24 107.145 15.122 11.098 1.00 0.00 H new ATOM 0 HB3 SER A 24 107.424 16.843 10.918 1.00 0.00 H new ATOM 0 HG SER A 24 106.683 16.293 13.069 1.00 0.00 H new ATOM 461 N ARG A 25 106.218 14.249 8.574 1.00 0.00 N ATOM 462 CA ARG A 25 106.657 13.581 7.369 1.00 0.00 C ATOM 463 C ARG A 25 105.450 13.373 6.453 1.00 0.00 C ATOM 464 O ARG A 25 105.581 13.165 5.239 1.00 0.00 O ATOM 465 CB ARG A 25 107.260 12.236 7.723 1.00 0.00 C ATOM 466 CG ARG A 25 108.093 11.625 6.619 1.00 0.00 C ATOM 467 CD ARG A 25 109.351 12.444 6.354 1.00 0.00 C ATOM 468 NE ARG A 25 110.192 12.576 7.558 1.00 0.00 N ATOM 469 CZ ARG A 25 111.455 13.001 7.571 1.00 0.00 C ATOM 470 NH1 ARG A 25 112.072 13.309 6.436 1.00 0.00 N ATOM 471 NH2 ARG A 25 112.096 13.117 8.718 1.00 0.00 N ATOM 0 H ARG A 25 105.930 13.620 9.324 1.00 0.00 H new ATOM 0 HA ARG A 25 107.408 14.188 6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 25 107.881 12.350 8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 25 106.457 11.546 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 25 108.371 10.607 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 25 107.500 11.561 5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 25 109.929 11.973 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 25 109.069 13.435 5.999 1.00 0.00 H new ATOM 0 HE ARG A 25 109.773 12.322 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 25 111.579 13.221 5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 25 113.039 13.634 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 25 111.625 12.882 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 25 113.063 13.442 8.731 1.00 0.00 H new ATOM 485 N GLY A 26 104.276 13.431 7.048 1.00 0.00 N ATOM 486 CA GLY A 26 103.084 13.264 6.357 1.00 0.00 C ATOM 487 C GLY A 26 102.579 11.869 6.547 1.00 0.00 C ATOM 488 O GLY A 26 102.342 11.460 7.682 1.00 0.00 O ATOM 0 H GLY A 26 104.158 13.601 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 26 102.343 13.980 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 26 103.237 13.464 5.296 1.00 0.00 H new ATOM 492 N PHE A 27 102.449 11.126 5.491 1.00 0.00 N ATOM 493 CA PHE A 27 101.903 9.797 5.604 1.00 0.00 C ATOM 494 C PHE A 27 102.996 8.798 5.834 1.00 0.00 C ATOM 495 O PHE A 27 104.042 8.843 5.185 1.00 0.00 O ATOM 496 CB PHE A 27 101.068 9.428 4.384 1.00 0.00 C ATOM 497 CG PHE A 27 100.087 10.491 4.040 1.00 0.00 C ATOM 498 CD1 PHE A 27 98.985 10.683 4.826 1.00 0.00 C ATOM 499 CD2 PHE A 27 100.294 11.330 2.963 1.00 0.00 C ATOM 500 CE1 PHE A 27 98.099 11.679 4.552 1.00 0.00 C ATOM 501 CE2 PHE A 27 99.403 12.340 2.688 1.00 0.00 C ATOM 502 CZ PHE A 27 98.303 12.512 3.485 1.00 0.00 C ATOM 0 H PHE A 27 102.709 11.408 4.546 1.00 0.00 H new ATOM 0 HA PHE A 27 101.237 9.781 6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 27 101.726 9.253 3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 27 100.539 8.494 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 27 98.816 10.037 5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 27 101.161 11.192 2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 27 97.230 11.813 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 27 99.570 12.996 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 27 97.598 13.302 3.272 1.00 0.00 H new ATOM 512 N GLY A 28 102.750 7.892 6.746 1.00 0.00 N ATOM 513 CA GLY A 28 103.746 6.921 7.115 1.00 0.00 C ATOM 514 C GLY A 28 103.673 5.649 6.315 1.00 0.00 C ATOM 515 O GLY A 28 104.324 4.686 6.658 1.00 0.00 O ATOM 0 H GLY A 28 101.866 7.807 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 28 104.735 7.362 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 28 103.634 6.682 8.173 1.00 0.00 H new ATOM 519 N PHE A 29 102.874 5.637 5.272 1.00 0.00 N ATOM 520 CA PHE A 29 102.745 4.467 4.417 1.00 0.00 C ATOM 521 C PHE A 29 103.116 4.810 3.001 1.00 0.00 C ATOM 522 O PHE A 29 103.166 5.988 2.621 1.00 0.00 O ATOM 523 CB PHE A 29 101.330 3.877 4.423 1.00 0.00 C ATOM 524 CG PHE A 29 100.270 4.765 3.825 1.00 0.00 C ATOM 525 CD1 PHE A 29 99.861 5.940 4.434 1.00 0.00 C ATOM 526 CD2 PHE A 29 99.705 4.423 2.624 1.00 0.00 C ATOM 527 CE1 PHE A 29 98.902 6.737 3.838 1.00 0.00 C ATOM 528 CE2 PHE A 29 98.759 5.209 2.035 1.00 0.00 C ATOM 529 CZ PHE A 29 98.353 6.366 2.637 1.00 0.00 C ATOM 0 H PHE A 29 102.297 6.429 4.989 1.00 0.00 H new ATOM 0 HA PHE A 29 103.425 3.718 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 29 101.343 2.933 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 29 101.052 3.647 5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 29 100.293 6.235 5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 29 100.015 3.512 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 29 98.585 7.651 4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 29 98.329 4.916 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 29 97.603 6.986 2.169 1.00 0.00 H new ATOM 539 N THR A 30 103.372 3.801 2.251 1.00 0.00 N ATOM 540 CA THR A 30 103.722 3.887 0.881 1.00 0.00 C ATOM 541 C THR A 30 102.744 3.073 0.107 1.00 0.00 C ATOM 542 O THR A 30 102.233 2.059 0.605 1.00 0.00 O ATOM 543 CB THR A 30 105.146 3.339 0.648 1.00 0.00 C ATOM 544 OG1 THR A 30 105.223 1.966 1.067 1.00 0.00 O ATOM 545 CG2 THR A 30 106.166 4.124 1.429 1.00 0.00 C ATOM 0 H THR A 30 103.341 2.841 2.595 1.00 0.00 H new ATOM 0 HA THR A 30 103.702 4.929 0.560 1.00 0.00 H new ATOM 0 HB THR A 30 105.358 3.426 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 30 104.973 1.898 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 30 107.159 3.715 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 30 106.140 5.168 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 30 105.938 4.059 2.493 1.00 0.00 H new ATOM 553 N VAL A 31 102.461 3.490 -1.070 1.00 0.00 N ATOM 554 CA VAL A 31 101.536 2.785 -1.874 1.00 0.00 C ATOM 555 C VAL A 31 102.148 2.347 -3.159 1.00 0.00 C ATOM 556 O VAL A 31 103.058 3.005 -3.700 1.00 0.00 O ATOM 557 CB VAL A 31 100.244 3.567 -2.155 1.00 0.00 C ATOM 558 CG1 VAL A 31 99.397 3.694 -0.919 1.00 0.00 C ATOM 559 CG2 VAL A 31 100.533 4.932 -2.765 1.00 0.00 C ATOM 0 H VAL A 31 102.860 4.324 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 31 101.261 1.908 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 31 99.676 2.994 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 31 98.491 4.253 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 31 99.128 2.701 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 31 99.957 4.220 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 31 99.594 5.454 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 31 101.144 5.516 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.068 4.804 -3.706 1.00 0.00 H new ATOM 569 N VAL A 32 101.717 1.227 -3.612 1.00 0.00 N ATOM 570 CA VAL A 32 102.108 0.749 -4.860 1.00 0.00 C ATOM 571 C VAL A 32 100.900 0.257 -5.611 1.00 0.00 C ATOM 572 O VAL A 32 99.905 -0.148 -5.020 1.00 0.00 O ATOM 573 CB VAL A 32 103.198 -0.335 -4.743 1.00 0.00 C ATOM 574 CG1 VAL A 32 102.717 -1.576 -3.999 1.00 0.00 C ATOM 575 CG2 VAL A 32 103.758 -0.702 -6.072 1.00 0.00 C ATOM 0 H VAL A 32 101.073 0.617 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 32 102.556 1.567 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 32 103.997 0.107 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 32 103.526 -2.305 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 32 102.412 -1.300 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 32 101.869 -2.012 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 32 104.523 -1.468 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 32 102.961 -1.086 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 32 104.201 0.179 -6.536 1.00 0.00 H new ATOM 585 N GLY A 33 101.001 0.325 -6.874 1.00 0.00 N ATOM 586 CA GLY A 33 99.978 -0.072 -7.735 1.00 0.00 C ATOM 587 C GLY A 33 99.530 1.109 -8.526 1.00 0.00 C ATOM 588 O GLY A 33 100.378 1.828 -9.095 1.00 0.00 O ATOM 0 H GLY A 33 101.832 0.673 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 33 100.330 -0.860 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 33 99.144 -0.483 -7.166 1.00 0.00 H new ATOM 592 N GLY A 34 98.218 1.327 -8.540 1.00 0.00 N ATOM 593 CA GLY A 34 97.573 2.445 -9.185 1.00 0.00 C ATOM 594 C GLY A 34 98.075 2.728 -10.540 1.00 0.00 C ATOM 595 O GLY A 34 98.150 3.881 -10.929 1.00 0.00 O ATOM 0 H GLY A 34 97.557 0.700 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 34 96.502 2.251 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 34 97.705 3.333 -8.567 1.00 0.00 H new ATOM 599 N ASP A 35 98.375 1.701 -11.294 1.00 0.00 N ATOM 600 CA ASP A 35 98.932 1.917 -12.581 1.00 0.00 C ATOM 601 C ASP A 35 97.924 2.554 -13.451 1.00 0.00 C ATOM 602 O ASP A 35 98.289 3.284 -14.375 1.00 0.00 O ATOM 603 CB ASP A 35 99.480 0.642 -13.228 1.00 0.00 C ATOM 604 CG ASP A 35 100.751 0.125 -12.601 1.00 0.00 C ATOM 605 OD1 ASP A 35 100.679 -0.670 -11.644 1.00 0.00 O ATOM 606 OD2 ASP A 35 101.856 0.474 -13.076 1.00 0.00 O ATOM 0 H ASP A 35 98.241 0.724 -11.033 1.00 0.00 H new ATOM 0 HA ASP A 35 99.789 2.578 -12.456 1.00 0.00 H new ATOM 0 HB2 ASP A 35 98.719 -0.136 -13.172 1.00 0.00 H new ATOM 0 HB3 ASP A 35 99.662 0.834 -14.285 1.00 0.00 H new ATOM 611 N GLU A 36 96.622 2.360 -13.130 1.00 0.00 N ATOM 612 CA GLU A 36 95.608 2.917 -13.983 1.00 0.00 C ATOM 613 C GLU A 36 94.297 2.786 -13.355 1.00 0.00 C ATOM 614 O GLU A 36 94.202 2.163 -12.299 1.00 0.00 O ATOM 615 CB GLU A 36 95.651 2.237 -15.354 1.00 0.00 C ATOM 616 CG GLU A 36 95.826 0.762 -15.314 1.00 0.00 C ATOM 617 CD GLU A 36 95.706 0.144 -16.671 1.00 0.00 C ATOM 618 OE1 GLU A 36 96.595 0.367 -17.518 1.00 0.00 O ATOM 619 OE2 GLU A 36 94.731 -0.566 -16.936 1.00 0.00 O ATOM 0 H GLU A 36 96.284 1.842 -12.319 1.00 0.00 H new ATOM 0 HA GLU A 36 95.798 3.980 -14.131 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.727 2.465 -15.886 1.00 0.00 H new ATOM 0 HB3 GLU A 36 96.467 2.670 -15.933 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.803 0.525 -14.893 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.079 0.327 -14.650 1.00 0.00 H new ATOM 626 N PRO A 37 93.263 3.441 -13.918 1.00 0.00 N ATOM 627 CA PRO A 37 91.879 3.249 -13.495 1.00 0.00 C ATOM 628 C PRO A 37 91.408 1.813 -13.805 1.00 0.00 C ATOM 629 O PRO A 37 90.411 1.593 -14.507 1.00 0.00 O ATOM 630 CB PRO A 37 91.116 4.287 -14.323 1.00 0.00 C ATOM 631 CG PRO A 37 91.982 4.567 -15.484 1.00 0.00 C ATOM 632 CD PRO A 37 93.358 4.502 -14.955 1.00 0.00 C ATOM 0 HA PRO A 37 91.729 3.375 -12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 37 90.146 3.903 -14.639 1.00 0.00 H new ATOM 0 HB3 PRO A 37 90.928 5.191 -13.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 91.829 3.835 -16.277 1.00 0.00 H new ATOM 0 HG3 PRO A 37 91.768 5.548 -15.909 1.00 0.00 H new ATOM 0 HD2 PRO A 37 94.078 4.245 -15.732 1.00 0.00 H new ATOM 0 HD3 PRO A 37 93.674 5.455 -14.531 1.00 0.00 H new ATOM 640 N ASP A 38 92.132 0.872 -13.218 1.00 0.00 N ATOM 641 CA ASP A 38 92.001 -0.590 -13.452 1.00 0.00 C ATOM 642 C ASP A 38 93.104 -1.358 -12.677 1.00 0.00 C ATOM 643 O ASP A 38 93.026 -2.563 -12.488 1.00 0.00 O ATOM 644 CB ASP A 38 92.029 -0.978 -14.946 1.00 0.00 C ATOM 645 CG ASP A 38 91.632 -2.436 -15.182 1.00 0.00 C ATOM 646 OD1 ASP A 38 90.405 -2.748 -15.181 1.00 0.00 O ATOM 647 OD2 ASP A 38 92.511 -3.300 -15.389 1.00 0.00 O ATOM 0 H ASP A 38 92.858 1.096 -12.538 1.00 0.00 H new ATOM 0 HA ASP A 38 91.018 -0.875 -13.078 1.00 0.00 H new ATOM 0 HB2 ASP A 38 91.352 -0.327 -15.500 1.00 0.00 H new ATOM 0 HB3 ASP A 38 93.030 -0.809 -15.343 1.00 0.00 H new ATOM 652 N GLU A 39 94.094 -0.628 -12.168 1.00 0.00 N ATOM 653 CA GLU A 39 95.097 -1.192 -11.303 1.00 0.00 C ATOM 654 C GLU A 39 95.055 -0.362 -10.028 1.00 0.00 C ATOM 655 O GLU A 39 95.302 0.888 -10.136 1.00 0.00 O ATOM 656 CB GLU A 39 96.481 -1.081 -11.931 1.00 0.00 C ATOM 657 CG GLU A 39 96.623 -1.730 -13.292 1.00 0.00 C ATOM 658 CD GLU A 39 96.747 -3.197 -13.222 1.00 0.00 C ATOM 659 OE1 GLU A 39 95.757 -3.890 -13.222 1.00 0.00 O ATOM 660 OE2 GLU A 39 97.877 -3.706 -13.177 1.00 0.00 O ATOM 0 H GLU A 39 94.213 0.368 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 39 94.905 -2.249 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 39 96.739 -0.026 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.207 -1.530 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 39 95.757 -1.473 -13.903 1.00 0.00 H new ATOM 0 HG3 GLU A 39 97.500 -1.321 -13.794 1.00 0.00 H new ATOM 667 N PHE A 40 94.838 -1.108 -8.850 1.00 0.00 N ATOM 668 CA PHE A 40 94.529 -0.666 -7.397 1.00 0.00 C ATOM 669 C PHE A 40 95.714 -0.155 -6.636 1.00 0.00 C ATOM 670 O PHE A 40 96.841 -0.441 -7.014 1.00 0.00 O ATOM 671 CB PHE A 40 94.121 -1.899 -6.546 1.00 0.00 C ATOM 672 CG PHE A 40 92.728 -2.380 -6.648 1.00 0.00 C ATOM 673 CD1 PHE A 40 91.776 -1.598 -7.166 1.00 0.00 C ATOM 674 CD2 PHE A 40 92.377 -3.622 -6.173 1.00 0.00 C ATOM 675 CE1 PHE A 40 90.490 -1.988 -7.239 1.00 0.00 C ATOM 676 CE2 PHE A 40 91.077 -4.046 -6.240 1.00 0.00 C ATOM 677 CZ PHE A 40 90.115 -3.215 -6.779 1.00 0.00 C ATOM 0 H PHE A 40 94.879 -2.126 -8.898 1.00 0.00 H new ATOM 0 HA PHE A 40 93.769 0.105 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 40 94.780 -2.724 -6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 40 94.317 -1.663 -5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 40 92.048 -0.621 -7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 40 93.131 -4.266 -5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 40 89.751 -1.325 -7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 40 90.805 -5.025 -5.873 1.00 0.00 H new ATOM 0 HZ PHE A 40 89.084 -3.532 -6.835 1.00 0.00 H new ATOM 687 N LEU A 41 95.473 0.634 -5.539 1.00 0.00 N ATOM 688 CA LEU A 41 96.604 0.993 -4.704 1.00 0.00 C ATOM 689 C LEU A 41 96.668 0.025 -3.595 1.00 0.00 C ATOM 690 O LEU A 41 95.663 -0.365 -3.095 1.00 0.00 O ATOM 691 CB LEU A 41 96.468 2.351 -4.078 1.00 0.00 C ATOM 692 CG LEU A 41 97.180 3.501 -4.735 1.00 0.00 C ATOM 693 CD1 LEU A 41 96.581 3.803 -6.094 1.00 0.00 C ATOM 694 CD2 LEU A 41 97.091 4.688 -3.816 1.00 0.00 C ATOM 0 H LEU A 41 94.565 0.997 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 41 97.489 0.993 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 41 95.407 2.595 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 41 96.821 2.282 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 41 98.227 3.249 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 41 97.113 4.639 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 41 96.669 2.925 -6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 41 95.529 4.063 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 41 97.601 5.538 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 41 96.044 4.940 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 41 97.564 4.447 -2.864 1.00 0.00 H new ATOM 706 N GLN A 42 97.808 -0.377 -3.240 1.00 0.00 N ATOM 707 CA GLN A 42 97.983 -1.194 -2.087 1.00 0.00 C ATOM 708 C GLN A 42 99.061 -0.599 -1.287 1.00 0.00 C ATOM 709 O GLN A 42 99.886 0.153 -1.805 1.00 0.00 O ATOM 710 CB GLN A 42 98.379 -2.607 -2.420 1.00 0.00 C ATOM 711 CG GLN A 42 97.352 -3.403 -3.192 1.00 0.00 C ATOM 712 CD GLN A 42 97.811 -4.810 -3.409 1.00 0.00 C ATOM 713 OE1 GLN A 42 98.434 -5.131 -4.418 1.00 0.00 O ATOM 714 NE2 GLN A 42 97.550 -5.650 -2.439 1.00 0.00 N ATOM 0 H GLN A 42 98.671 -0.156 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 42 97.031 -1.237 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 42 99.303 -2.581 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 42 98.599 -3.133 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 42 96.407 -3.405 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 42 97.166 -2.926 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 42 97.029 -5.337 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 42 97.868 -6.617 -2.503 1.00 0.00 H new ATOM 723 N ILE A 43 99.074 -0.919 -0.058 1.00 0.00 N ATOM 724 CA ILE A 43 100.081 -0.428 0.821 1.00 0.00 C ATOM 725 C ILE A 43 101.248 -1.282 0.615 1.00 0.00 C ATOM 726 O ILE A 43 101.183 -2.490 0.852 1.00 0.00 O ATOM 727 CB ILE A 43 99.713 -0.544 2.324 1.00 0.00 C ATOM 728 CG1 ILE A 43 98.298 -0.047 2.586 1.00 0.00 C ATOM 729 CG2 ILE A 43 100.721 0.256 3.168 1.00 0.00 C ATOM 730 CD1 ILE A 43 98.047 1.360 2.127 1.00 0.00 C ATOM 0 H ILE A 43 98.388 -1.532 0.382 1.00 0.00 H new ATOM 0 HA ILE A 43 100.234 0.628 0.600 1.00 0.00 H new ATOM 0 HB ILE A 43 99.756 -1.596 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 43 97.593 -0.712 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 43 98.094 -0.111 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 43 100.460 0.172 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 43 101.724 -0.141 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 43 100.695 1.304 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 43 97.017 1.637 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 43 98.725 2.038 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 43 98.216 1.428 1.052 1.00 0.00 H new ATOM 742 N LYS A 44 102.291 -0.691 0.123 1.00 0.00 N ATOM 743 CA LYS A 44 103.502 -1.386 0.008 1.00 0.00 C ATOM 744 C LYS A 44 103.964 -1.652 1.416 1.00 0.00 C ATOM 745 O LYS A 44 104.195 -2.797 1.762 1.00 0.00 O ATOM 746 CB LYS A 44 104.538 -0.596 -0.824 1.00 0.00 C ATOM 747 CG LYS A 44 106.006 -1.133 -0.870 1.00 0.00 C ATOM 748 CD LYS A 44 106.232 -2.542 -1.500 1.00 0.00 C ATOM 749 CE LYS A 44 105.817 -3.684 -0.574 1.00 0.00 C ATOM 750 NZ LYS A 44 106.345 -5.009 -0.991 1.00 0.00 N ATOM 0 H LYS A 44 102.313 0.275 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 44 103.375 -2.324 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 44 104.171 -0.540 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 44 104.567 0.424 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 106.611 -0.415 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 44 106.390 -1.154 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 44 105.668 -2.613 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 44 107.285 -2.654 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 44 106.163 -3.466 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 44 104.729 -3.732 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 105.580 -5.713 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 106.719 -4.945 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 107.106 -5.299 -0.344 1.00 0.00 H new ATOM 764 N SER A 45 103.951 -0.596 2.259 1.00 0.00 N ATOM 765 CA SER A 45 104.378 -0.723 3.646 1.00 0.00 C ATOM 766 C SER A 45 104.405 0.601 4.345 1.00 0.00 C ATOM 767 O SER A 45 104.131 1.627 3.751 1.00 0.00 O ATOM 768 CB SER A 45 105.677 -1.515 3.781 1.00 0.00 C ATOM 769 OG SER A 45 106.122 -1.673 5.128 1.00 0.00 O ATOM 0 H SER A 45 103.650 0.342 1.994 1.00 0.00 H new ATOM 0 HA SER A 45 103.625 -1.316 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 45 105.538 -2.501 3.337 1.00 0.00 H new ATOM 0 HB3 SER A 45 106.457 -1.015 3.208 1.00 0.00 H new ATOM 0 HG SER A 45 107.101 -1.653 5.153 1.00 0.00 H new ATOM 775 N LEU A 46 104.657 0.550 5.610 1.00 0.00 N ATOM 776 CA LEU A 46 104.573 1.673 6.468 1.00 0.00 C ATOM 777 C LEU A 46 105.600 1.626 7.541 1.00 0.00 C ATOM 778 O LEU A 46 106.067 0.552 7.949 1.00 0.00 O ATOM 779 CB LEU A 46 103.182 1.710 7.076 1.00 0.00 C ATOM 780 CG LEU A 46 102.672 0.399 7.636 1.00 0.00 C ATOM 781 CD1 LEU A 46 102.912 0.268 9.132 1.00 0.00 C ATOM 782 CD2 LEU A 46 101.244 0.243 7.280 1.00 0.00 C ATOM 0 H LEU A 46 104.937 -0.307 6.087 1.00 0.00 H new ATOM 0 HA LEU A 46 104.760 2.575 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 46 103.175 2.452 7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 46 102.482 2.055 6.315 1.00 0.00 H new ATOM 0 HG LEU A 46 103.240 -0.415 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 46 102.527 -0.690 9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 46 103.981 0.324 9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 46 102.400 1.076 9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 46 100.870 -0.699 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 46 100.672 1.069 7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 46 101.137 0.244 6.195 1.00 0.00 H new ATOM 794 N VAL A 47 105.951 2.794 7.971 1.00 0.00 N ATOM 795 CA VAL A 47 106.809 2.999 9.087 1.00 0.00 C ATOM 796 C VAL A 47 105.994 2.566 10.287 1.00 0.00 C ATOM 797 O VAL A 47 104.945 3.169 10.552 1.00 0.00 O ATOM 798 CB VAL A 47 107.113 4.519 9.242 1.00 0.00 C ATOM 799 CG1 VAL A 47 108.170 4.788 10.289 1.00 0.00 C ATOM 800 CG2 VAL A 47 107.476 5.169 7.915 1.00 0.00 C ATOM 0 H VAL A 47 105.635 3.662 7.537 1.00 0.00 H new ATOM 0 HA VAL A 47 107.749 2.457 8.980 1.00 0.00 H new ATOM 0 HB VAL A 47 106.189 4.980 9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 47 108.347 5.861 10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 47 107.830 4.412 11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 47 109.096 4.285 10.009 1.00 0.00 H new ATOM 0 HG21 VAL A 47 107.680 6.228 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 47 108.363 4.686 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 47 106.646 5.059 7.217 1.00 0.00 H new ATOM 810 N LEU A 48 106.412 1.524 11.001 1.00 0.00 N ATOM 811 CA LEU A 48 105.635 1.052 12.120 1.00 0.00 C ATOM 812 C LEU A 48 105.641 2.017 13.293 1.00 0.00 C ATOM 813 O LEU A 48 104.917 1.863 14.273 1.00 0.00 O ATOM 814 CB LEU A 48 105.988 -0.302 12.553 1.00 0.00 C ATOM 815 CG LEU A 48 107.114 -0.353 13.449 1.00 0.00 C ATOM 816 CD1 LEU A 48 106.878 -1.466 14.388 1.00 0.00 C ATOM 817 CD2 LEU A 48 108.369 -0.522 12.682 1.00 0.00 C ATOM 0 H LEU A 48 107.271 1.004 10.821 1.00 0.00 H new ATOM 0 HA LEU A 48 104.615 1.002 11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 48 105.125 -0.753 13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 48 106.208 -0.908 11.674 1.00 0.00 H new ATOM 0 HG LEU A 48 107.219 0.575 14.010 1.00 0.00 H new ATOM 0 HD11 LEU A 48 107.713 -1.537 15.085 1.00 0.00 H new ATOM 0 HD12 LEU A 48 105.957 -1.286 14.942 1.00 0.00 H new ATOM 0 HD13 LEU A 48 106.790 -2.399 13.831 1.00 0.00 H new ATOM 0 HD21 LEU A 48 109.214 -0.559 13.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 108.325 -1.450 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 48 108.494 0.318 11.999 1.00 0.00 H new ATOM 829 N ASP A 49 106.474 2.970 13.188 1.00 0.00 N ATOM 830 CA ASP A 49 106.560 4.030 14.145 1.00 0.00 C ATOM 831 C ASP A 49 105.731 5.215 13.684 1.00 0.00 C ATOM 832 O ASP A 49 105.538 6.186 14.426 1.00 0.00 O ATOM 833 CB ASP A 49 107.978 4.485 14.267 1.00 0.00 C ATOM 834 CG ASP A 49 108.918 3.485 14.921 1.00 0.00 C ATOM 835 OD1 ASP A 49 109.405 2.549 14.238 1.00 0.00 O ATOM 836 OD2 ASP A 49 109.201 3.620 16.124 1.00 0.00 O ATOM 0 H ASP A 49 107.140 3.052 12.420 1.00 0.00 H new ATOM 0 HA ASP A 49 106.192 3.660 15.102 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.356 4.719 13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.999 5.411 14.842 1.00 0.00 H new ATOM 841 N GLY A 50 105.239 5.132 12.463 1.00 0.00 N ATOM 842 CA GLY A 50 104.519 6.212 11.863 1.00 0.00 C ATOM 843 C GLY A 50 103.030 6.123 12.107 1.00 0.00 C ATOM 844 O GLY A 50 102.537 5.089 12.572 1.00 0.00 O ATOM 0 H GLY A 50 105.333 4.309 11.868 1.00 0.00 H new ATOM 0 HA2 GLY A 50 104.893 7.157 12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 50 104.708 6.218 10.790 1.00 0.00 H new ATOM 848 N PRO A 51 102.279 7.162 11.701 1.00 0.00 N ATOM 849 CA PRO A 51 100.835 7.303 11.983 1.00 0.00 C ATOM 850 C PRO A 51 100.014 6.127 11.470 1.00 0.00 C ATOM 851 O PRO A 51 98.991 5.778 12.031 1.00 0.00 O ATOM 852 CB PRO A 51 100.446 8.595 11.257 1.00 0.00 C ATOM 853 CG PRO A 51 101.556 8.869 10.299 1.00 0.00 C ATOM 854 CD PRO A 51 102.788 8.278 10.901 1.00 0.00 C ATOM 0 HA PRO A 51 100.638 7.329 13.055 1.00 0.00 H new ATOM 0 HB2 PRO A 51 99.497 8.480 10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 51 100.324 9.418 11.961 1.00 0.00 H new ATOM 0 HG2 PRO A 51 101.348 8.425 9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 51 101.677 9.941 10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 51 103.485 7.937 10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 51 103.321 9.003 11.517 1.00 0.00 H new ATOM 862 N ALA A 52 100.515 5.507 10.432 1.00 0.00 N ATOM 863 CA ALA A 52 99.884 4.348 9.807 1.00 0.00 C ATOM 864 C ALA A 52 99.727 3.178 10.802 1.00 0.00 C ATOM 865 O ALA A 52 98.624 2.577 10.940 1.00 0.00 O ATOM 866 CB ALA A 52 100.724 3.920 8.620 1.00 0.00 C ATOM 0 H ALA A 52 101.386 5.789 9.982 1.00 0.00 H new ATOM 0 HA ALA A 52 98.883 4.627 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 52 100.265 3.054 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 52 100.786 4.739 7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 52 101.726 3.658 8.959 1.00 0.00 H new ATOM 872 N ALA A 53 100.824 2.868 11.473 1.00 0.00 N ATOM 873 CA ALA A 53 100.881 1.811 12.472 1.00 0.00 C ATOM 874 C ALA A 53 100.238 2.259 13.771 1.00 0.00 C ATOM 875 O ALA A 53 99.658 1.465 14.503 1.00 0.00 O ATOM 876 CB ALA A 53 102.322 1.411 12.705 1.00 0.00 C ATOM 0 H ALA A 53 101.713 3.350 11.338 1.00 0.00 H new ATOM 0 HA ALA A 53 100.324 0.949 12.103 1.00 0.00 H new ATOM 0 HB1 ALA A 53 102.363 0.619 13.453 1.00 0.00 H new ATOM 0 HB2 ALA A 53 102.755 1.051 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 53 102.887 2.274 13.058 1.00 0.00 H new ATOM 882 N LEU A 54 100.355 3.534 14.042 1.00 0.00 N ATOM 883 CA LEU A 54 99.813 4.154 15.227 1.00 0.00 C ATOM 884 C LEU A 54 98.326 4.114 15.238 1.00 0.00 C ATOM 885 O LEU A 54 97.706 3.779 16.255 1.00 0.00 O ATOM 886 CB LEU A 54 100.258 5.573 15.272 1.00 0.00 C ATOM 887 CG LEU A 54 101.551 5.865 16.041 1.00 0.00 C ATOM 888 CD1 LEU A 54 102.671 4.930 15.636 1.00 0.00 C ATOM 889 CD2 LEU A 54 101.975 7.290 15.813 1.00 0.00 C ATOM 0 H LEU A 54 100.842 4.188 13.429 1.00 0.00 H new ATOM 0 HA LEU A 54 100.173 3.603 16.096 1.00 0.00 H new ATOM 0 HB2 LEU A 54 100.385 5.922 14.247 1.00 0.00 H new ATOM 0 HB3 LEU A 54 99.458 6.167 15.714 1.00 0.00 H new ATOM 0 HG LEU A 54 101.347 5.705 17.100 1.00 0.00 H new ATOM 0 HD11 LEU A 54 103.569 5.171 16.204 1.00 0.00 H new ATOM 0 HD12 LEU A 54 102.377 3.900 15.840 1.00 0.00 H new ATOM 0 HD13 LEU A 54 102.874 5.045 14.571 1.00 0.00 H new ATOM 0 HD21 LEU A 54 102.895 7.488 16.363 1.00 0.00 H new ATOM 0 HD22 LEU A 54 102.147 7.453 14.749 1.00 0.00 H new ATOM 0 HD23 LEU A 54 101.191 7.963 16.161 1.00 0.00 H new ATOM 901 N ASP A 55 97.747 4.467 14.110 1.00 0.00 N ATOM 902 CA ASP A 55 96.304 4.431 13.939 1.00 0.00 C ATOM 903 C ASP A 55 95.867 3.006 14.084 1.00 0.00 C ATOM 904 O ASP A 55 94.818 2.687 14.652 1.00 0.00 O ATOM 905 CB ASP A 55 95.909 4.928 12.561 1.00 0.00 C ATOM 906 CG ASP A 55 94.416 5.129 12.442 1.00 0.00 C ATOM 907 OD1 ASP A 55 93.846 5.940 13.212 1.00 0.00 O ATOM 908 OD2 ASP A 55 93.784 4.474 11.603 1.00 0.00 O ATOM 0 H ASP A 55 98.258 4.786 13.287 1.00 0.00 H new ATOM 0 HA ASP A 55 95.832 5.073 14.682 1.00 0.00 H new ATOM 0 HB2 ASP A 55 96.420 5.868 12.354 1.00 0.00 H new ATOM 0 HB3 ASP A 55 96.240 4.213 11.808 1.00 0.00 H new ATOM 913 N GLY A 56 96.729 2.159 13.594 1.00 0.00 N ATOM 914 CA GLY A 56 96.581 0.727 13.708 1.00 0.00 C ATOM 915 C GLY A 56 95.834 0.118 12.566 1.00 0.00 C ATOM 916 O GLY A 56 95.905 -1.090 12.333 1.00 0.00 O ATOM 0 H GLY A 56 97.571 2.446 13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 56 97.569 0.270 13.772 1.00 0.00 H new ATOM 0 HA3 GLY A 56 96.062 0.495 14.638 1.00 0.00 H new ATOM 920 N LYS A 57 95.133 0.941 11.852 1.00 0.00 N ATOM 921 CA LYS A 57 94.327 0.516 10.768 1.00 0.00 C ATOM 922 C LYS A 57 95.122 0.212 9.528 1.00 0.00 C ATOM 923 O LYS A 57 94.719 -0.637 8.754 1.00 0.00 O ATOM 924 CB LYS A 57 93.346 1.579 10.419 1.00 0.00 C ATOM 925 CG LYS A 57 91.970 1.515 11.070 1.00 0.00 C ATOM 926 CD LYS A 57 91.985 1.818 12.550 1.00 0.00 C ATOM 927 CE LYS A 57 90.562 1.910 13.079 1.00 0.00 C ATOM 928 NZ LYS A 57 89.778 2.963 12.373 1.00 0.00 N ATOM 0 H LYS A 57 95.109 1.948 12.016 1.00 0.00 H new ATOM 0 HA LYS A 57 93.834 -0.398 11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 57 93.791 2.542 10.670 1.00 0.00 H new ATOM 0 HB3 LYS A 57 93.206 1.565 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 57 91.308 2.222 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 57 91.550 0.521 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 57 92.530 1.039 13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 57 92.510 2.756 12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 57 90.067 0.946 12.960 1.00 0.00 H new ATOM 0 HE3 LYS A 57 90.584 2.127 14.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 88.883 3.126 12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 90.327 3.846 12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 89.576 2.653 11.401 1.00 0.00 H new ATOM 942 N MET A 58 96.265 0.845 9.358 1.00 0.00 N ATOM 943 CA MET A 58 96.947 0.742 8.117 1.00 0.00 C ATOM 944 C MET A 58 97.958 -0.372 8.213 1.00 0.00 C ATOM 945 O MET A 58 98.758 -0.413 9.165 1.00 0.00 O ATOM 946 CB MET A 58 97.635 2.068 7.866 1.00 0.00 C ATOM 947 CG MET A 58 98.277 2.215 6.520 1.00 0.00 C ATOM 948 SD MET A 58 97.101 2.471 5.185 1.00 0.00 S ATOM 949 CE MET A 58 96.372 4.049 5.631 1.00 0.00 C ATOM 0 H MET A 58 96.723 1.424 10.062 1.00 0.00 H new ATOM 0 HA MET A 58 96.263 0.520 7.298 1.00 0.00 H new ATOM 0 HB2 MET A 58 96.904 2.867 7.990 1.00 0.00 H new ATOM 0 HB3 MET A 58 98.398 2.213 8.631 1.00 0.00 H new ATOM 0 HG2 MET A 58 98.971 3.055 6.548 1.00 0.00 H new ATOM 0 HG3 MET A 58 98.866 1.322 6.308 1.00 0.00 H new ATOM 0 HE1 MET A 58 95.541 4.269 4.960 1.00 0.00 H new ATOM 0 HE2 MET A 58 96.007 4.004 6.657 1.00 0.00 H new ATOM 0 HE3 MET A 58 97.124 4.834 5.547 1.00 0.00 H new ATOM 959 N GLU A 59 97.899 -1.288 7.275 1.00 0.00 N ATOM 960 CA GLU A 59 98.772 -2.430 7.250 1.00 0.00 C ATOM 961 C GLU A 59 99.295 -2.691 5.810 1.00 0.00 C ATOM 962 O GLU A 59 98.727 -2.241 4.811 1.00 0.00 O ATOM 963 CB GLU A 59 98.003 -3.648 7.830 1.00 0.00 C ATOM 964 CG GLU A 59 98.784 -4.954 7.902 1.00 0.00 C ATOM 965 CD GLU A 59 100.077 -4.826 8.669 1.00 0.00 C ATOM 966 OE1 GLU A 59 100.077 -4.991 9.907 1.00 0.00 O ATOM 967 OE2 GLU A 59 101.123 -4.567 8.039 1.00 0.00 O ATOM 0 H GLU A 59 97.235 -1.258 6.501 1.00 0.00 H new ATOM 0 HA GLU A 59 99.653 -2.248 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 59 97.663 -3.394 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 59 97.112 -3.813 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 59 98.163 -5.717 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 59 99.000 -5.298 6.891 1.00 0.00 H new ATOM 974 N THR A 60 100.414 -3.355 5.747 1.00 0.00 N ATOM 975 CA THR A 60 101.070 -3.741 4.526 1.00 0.00 C ATOM 976 C THR A 60 100.160 -4.695 3.702 1.00 0.00 C ATOM 977 O THR A 60 99.822 -5.790 4.158 1.00 0.00 O ATOM 978 CB THR A 60 102.359 -4.512 4.902 1.00 0.00 C ATOM 979 OG1 THR A 60 102.051 -5.598 5.809 1.00 0.00 O ATOM 980 CG2 THR A 60 103.373 -3.618 5.572 1.00 0.00 C ATOM 0 H THR A 60 100.918 -3.656 6.581 1.00 0.00 H new ATOM 0 HA THR A 60 101.290 -2.852 3.934 1.00 0.00 H new ATOM 0 HB THR A 60 102.778 -4.895 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 60 102.030 -5.260 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 60 104.262 -4.198 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 60 103.645 -2.807 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 60 102.945 -3.203 6.484 1.00 0.00 H new ATOM 988 N GLY A 61 99.716 -4.267 2.552 1.00 0.00 N ATOM 989 CA GLY A 61 98.968 -5.138 1.684 1.00 0.00 C ATOM 990 C GLY A 61 97.534 -4.735 1.538 1.00 0.00 C ATOM 991 O GLY A 61 96.842 -5.213 0.628 1.00 0.00 O ATOM 0 H GLY A 61 99.858 -3.323 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 61 99.437 -5.150 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 99.015 -6.155 2.072 1.00 0.00 H new ATOM 995 N ASP A 62 97.081 -3.861 2.415 1.00 0.00 N ATOM 996 CA ASP A 62 95.703 -3.355 2.371 1.00 0.00 C ATOM 997 C ASP A 62 95.596 -2.512 1.083 1.00 0.00 C ATOM 998 O ASP A 62 96.555 -1.836 0.714 1.00 0.00 O ATOM 999 CB ASP A 62 95.460 -2.387 3.567 1.00 0.00 C ATOM 1000 CG ASP A 62 95.815 -2.947 4.940 1.00 0.00 C ATOM 1001 OD1 ASP A 62 96.505 -3.986 5.025 1.00 0.00 O ATOM 1002 OD2 ASP A 62 95.381 -2.380 5.949 1.00 0.00 O ATOM 0 H ASP A 62 97.643 -3.478 3.175 1.00 0.00 H new ATOM 0 HA ASP A 62 94.990 -4.178 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 62 96.040 -1.479 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 62 94.409 -2.098 3.571 1.00 0.00 H new ATOM 1007 N VAL A 63 94.506 -2.571 0.387 1.00 0.00 N ATOM 1008 CA VAL A 63 94.331 -1.773 -0.817 1.00 0.00 C ATOM 1009 C VAL A 63 93.633 -0.431 -0.558 1.00 0.00 C ATOM 1010 O VAL A 63 92.563 -0.389 0.013 1.00 0.00 O ATOM 1011 CB VAL A 63 93.699 -2.574 -2.058 1.00 0.00 C ATOM 1012 CG1 VAL A 63 92.846 -3.725 -1.624 1.00 0.00 C ATOM 1013 CG2 VAL A 63 92.879 -1.672 -2.985 1.00 0.00 C ATOM 0 H VAL A 63 93.710 -3.164 0.622 1.00 0.00 H new ATOM 0 HA VAL A 63 95.347 -1.532 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 63 94.557 -2.958 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 63 92.444 -4.231 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 63 93.447 -4.425 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 63 92.024 -3.357 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 63 92.476 -2.265 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 63 92.059 -1.223 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 63 93.518 -0.885 -3.386 1.00 0.00 H new ATOM 1023 N ILE A 64 94.298 0.656 -0.938 1.00 0.00 N ATOM 1024 CA ILE A 64 93.711 1.978 -0.912 1.00 0.00 C ATOM 1025 C ILE A 64 92.718 2.072 -2.045 1.00 0.00 C ATOM 1026 O ILE A 64 93.060 1.786 -3.305 1.00 0.00 O ATOM 1027 CB ILE A 64 94.763 3.142 -1.018 1.00 0.00 C ATOM 1028 CG1 ILE A 64 95.433 3.420 0.324 1.00 0.00 C ATOM 1029 CG2 ILE A 64 94.151 4.438 -1.584 1.00 0.00 C ATOM 1030 CD1 ILE A 64 94.515 4.059 1.358 1.00 0.00 C ATOM 0 H ILE A 64 95.261 0.637 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 64 93.228 2.107 0.057 1.00 0.00 H new ATOM 0 HB ILE A 64 95.523 2.799 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 64 95.819 2.483 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 64 96.290 4.074 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 64 94.919 5.210 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 64 93.758 4.249 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 64 93.343 4.773 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 64 95.068 4.224 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 64 94.149 5.013 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 64 93.671 3.398 1.553 1.00 0.00 H new ATOM 1042 N VAL A 65 91.513 2.405 -1.588 1.00 0.00 N ATOM 1043 CA VAL A 65 90.314 2.518 -2.363 1.00 0.00 C ATOM 1044 C VAL A 65 89.772 3.964 -2.382 1.00 0.00 C ATOM 1045 O VAL A 65 89.199 4.408 -3.370 1.00 0.00 O ATOM 1046 CB VAL A 65 89.212 1.578 -1.788 1.00 0.00 C ATOM 1047 CG1 VAL A 65 87.953 1.612 -2.628 1.00 0.00 C ATOM 1048 CG2 VAL A 65 89.717 0.151 -1.624 1.00 0.00 C ATOM 0 H VAL A 65 91.355 2.613 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 65 90.565 2.229 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 65 88.960 1.956 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 65 87.209 0.944 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 65 87.559 2.628 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 65 88.184 1.289 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 65 88.919 -0.473 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 65 90.028 -0.239 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 65 90.566 0.142 -0.940 1.00 0.00 H new ATOM 1058 N SER A 66 89.891 4.693 -1.298 1.00 0.00 N ATOM 1059 CA SER A 66 89.321 6.042 -1.273 1.00 0.00 C ATOM 1060 C SER A 66 90.046 7.004 -0.341 1.00 0.00 C ATOM 1061 O SER A 66 90.799 6.584 0.542 1.00 0.00 O ATOM 1062 CB SER A 66 87.832 5.982 -0.937 1.00 0.00 C ATOM 1063 OG SER A 66 87.085 5.381 -1.986 1.00 0.00 O ATOM 0 H SER A 66 90.359 4.398 -0.441 1.00 0.00 H new ATOM 0 HA SER A 66 89.456 6.447 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 66 87.688 5.416 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 66 87.458 6.989 -0.754 1.00 0.00 H new ATOM 0 HG SER A 66 87.694 4.916 -2.597 1.00 0.00 H new ATOM 1069 N VAL A 67 89.790 8.293 -0.560 1.00 0.00 N ATOM 1070 CA VAL A 67 90.368 9.402 0.194 1.00 0.00 C ATOM 1071 C VAL A 67 89.268 10.341 0.521 1.00 0.00 C ATOM 1072 O VAL A 67 88.548 10.735 -0.385 1.00 0.00 O ATOM 1073 CB VAL A 67 91.423 10.204 -0.629 1.00 0.00 C ATOM 1074 CG1 VAL A 67 91.779 11.509 0.092 1.00 0.00 C ATOM 1075 CG2 VAL A 67 92.675 9.388 -0.847 1.00 0.00 C ATOM 0 H VAL A 67 89.152 8.603 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 67 90.861 8.988 1.073 1.00 0.00 H new ATOM 0 HB VAL A 67 90.985 10.435 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 67 92.516 12.059 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 67 90.882 12.117 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 67 92.193 11.281 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 67 93.393 9.971 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 67 93.111 9.126 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 67 92.426 8.478 -1.392 1.00 0.00 H new ATOM 1085 N ASN A 68 89.126 10.685 1.797 1.00 0.00 N ATOM 1086 CA ASN A 68 88.119 11.622 2.257 1.00 0.00 C ATOM 1087 C ASN A 68 86.751 11.017 2.029 1.00 0.00 C ATOM 1088 O ASN A 68 86.270 10.271 2.873 1.00 0.00 O ATOM 1089 CB ASN A 68 88.278 13.029 1.607 1.00 0.00 C ATOM 1090 CG ASN A 68 89.489 13.831 2.093 1.00 0.00 C ATOM 1091 OD1 ASN A 68 89.821 13.727 3.351 1.00 0.00 O flip ATOM 1092 ND2 ASN A 68 90.087 14.593 1.334 1.00 0.00 N flip ATOM 0 H ASN A 68 89.714 10.315 2.544 1.00 0.00 H new ATOM 0 HA ASN A 68 88.249 11.794 3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 68 88.351 12.908 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 68 87.375 13.608 1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 68 89.810 14.658 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 68 90.859 15.160 1.684 1.00 0.00 H new ATOM 1099 N ASP A 69 86.165 11.279 0.877 1.00 0.00 N ATOM 1100 CA ASP A 69 84.945 10.603 0.429 1.00 0.00 C ATOM 1101 C ASP A 69 84.942 10.534 -1.075 1.00 0.00 C ATOM 1102 O ASP A 69 83.901 10.584 -1.721 1.00 0.00 O ATOM 1103 CB ASP A 69 83.623 11.231 0.939 1.00 0.00 C ATOM 1104 CG ASP A 69 83.342 10.997 2.410 1.00 0.00 C ATOM 1105 OD1 ASP A 69 83.079 9.840 2.801 1.00 0.00 O ATOM 1106 OD2 ASP A 69 83.372 11.980 3.207 1.00 0.00 O ATOM 0 H ASP A 69 86.518 11.970 0.215 1.00 0.00 H new ATOM 0 HA ASP A 69 84.972 9.607 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 69 83.651 12.305 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 69 82.795 10.828 0.355 1.00 0.00 H new ATOM 1111 N THR A 70 86.112 10.445 -1.629 1.00 0.00 N ATOM 1112 CA THR A 70 86.289 10.340 -3.043 1.00 0.00 C ATOM 1113 C THR A 70 86.923 9.010 -3.340 1.00 0.00 C ATOM 1114 O THR A 70 87.946 8.648 -2.724 1.00 0.00 O ATOM 1115 CB THR A 70 87.211 11.464 -3.557 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.720 12.726 -3.106 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.282 11.473 -5.082 1.00 0.00 C ATOM 0 H THR A 70 86.985 10.443 -1.101 1.00 0.00 H new ATOM 0 HA THR A 70 85.322 10.429 -3.538 1.00 0.00 H new ATOM 0 HB THR A 70 88.212 11.284 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.307 13.440 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.940 12.277 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 70 87.672 10.518 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.284 11.630 -5.492 1.00 0.00 H new ATOM 1125 N CYS A 71 86.305 8.270 -4.217 1.00 0.00 N ATOM 1126 CA CYS A 71 86.827 7.020 -4.646 1.00 0.00 C ATOM 1127 C CYS A 71 88.093 7.288 -5.432 1.00 0.00 C ATOM 1128 O CYS A 71 88.067 7.953 -6.473 1.00 0.00 O ATOM 1129 CB CYS A 71 85.801 6.279 -5.487 1.00 0.00 C ATOM 1130 SG CYS A 71 86.245 4.556 -5.825 1.00 0.00 S ATOM 0 H CYS A 71 85.419 8.526 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 71 87.057 6.387 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 71 84.839 6.303 -4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 71 85.672 6.804 -6.433 1.00 0.00 H new ATOM 0 HG CYS A 71 85.531 4.110 -6.816 1.00 0.00 H new ATOM 1136 N VAL A 72 89.190 6.831 -4.905 1.00 0.00 N ATOM 1137 CA VAL A 72 90.483 7.089 -5.503 1.00 0.00 C ATOM 1138 C VAL A 72 91.127 5.738 -5.859 1.00 0.00 C ATOM 1139 O VAL A 72 92.337 5.634 -6.134 1.00 0.00 O ATOM 1140 CB VAL A 72 91.362 7.886 -4.490 1.00 0.00 C ATOM 1141 CG1 VAL A 72 92.064 7.023 -3.453 1.00 0.00 C ATOM 1142 CG2 VAL A 72 92.281 8.862 -5.157 1.00 0.00 C ATOM 0 H VAL A 72 89.223 6.271 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 72 90.386 7.685 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 72 90.650 8.479 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 72 92.653 7.657 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 72 91.321 6.479 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 72 92.722 6.314 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 72 92.866 9.386 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 72 92.952 8.328 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 72 91.695 9.583 -5.726 1.00 0.00 H new ATOM 1152 N LEU A 73 90.277 4.716 -5.867 1.00 0.00 N ATOM 1153 CA LEU A 73 90.621 3.362 -6.139 1.00 0.00 C ATOM 1154 C LEU A 73 91.201 3.366 -7.507 1.00 0.00 C ATOM 1155 O LEU A 73 90.465 3.679 -8.443 1.00 0.00 O ATOM 1156 CB LEU A 73 89.282 2.600 -6.108 1.00 0.00 C ATOM 1157 CG LEU A 73 89.301 1.103 -6.249 1.00 0.00 C ATOM 1158 CD1 LEU A 73 90.167 0.488 -5.200 1.00 0.00 C ATOM 1159 CD2 LEU A 73 87.881 0.545 -6.183 1.00 0.00 C ATOM 0 H LEU A 73 89.283 4.837 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 73 91.328 2.911 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 73 88.788 2.837 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 73 88.656 2.999 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 73 89.721 0.850 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 73 90.168 -0.596 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 73 91.185 0.865 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 73 89.781 0.745 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 73 87.911 -0.540 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 73 87.432 0.806 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 73 87.285 0.970 -6.991 1.00 0.00 H new ATOM 1171 N GLY A 74 92.540 3.052 -7.613 1.00 0.00 N ATOM 1172 CA GLY A 74 93.325 3.217 -8.878 1.00 0.00 C ATOM 1173 C GLY A 74 92.808 4.334 -9.707 1.00 0.00 C ATOM 1174 O GLY A 74 92.456 4.151 -10.843 1.00 0.00 O ATOM 0 H GLY A 74 93.089 2.685 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 74 94.372 3.399 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 74 93.288 2.291 -9.452 1.00 0.00 H new ATOM 1178 N HIS A 75 92.606 5.471 -9.016 1.00 0.00 N ATOM 1179 CA HIS A 75 92.191 6.736 -9.607 1.00 0.00 C ATOM 1180 C HIS A 75 93.164 6.919 -10.722 1.00 0.00 C ATOM 1181 O HIS A 75 92.815 6.898 -11.891 1.00 0.00 O ATOM 1182 CB HIS A 75 92.315 7.804 -8.479 1.00 0.00 C ATOM 1183 CG HIS A 75 91.530 9.065 -8.606 1.00 0.00 C ATOM 1184 ND1 HIS A 75 91.764 10.275 -8.054 1.00 0.00 N flip ATOM 1185 CD2 HIS A 75 90.331 9.171 -9.230 1.00 0.00 C flip ATOM 1186 CE1 HIS A 75 90.721 11.115 -8.334 1.00 0.00 C flip ATOM 1187 NE2 HIS A 75 89.884 10.397 -9.038 1.00 0.00 N flip ATOM 0 H HIS A 75 92.733 5.526 -8.005 1.00 0.00 H new ATOM 0 HA HIS A 75 91.172 6.796 -9.990 1.00 0.00 H new ATOM 0 HB2 HIS A 75 92.031 7.329 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 75 93.367 8.075 -8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 75 89.831 8.391 -9.785 1.00 0.00 H new ATOM 0 HE1 HIS A 75 90.612 12.148 -8.038 1.00 0.00 H new ATOM 0 HE2 HIS A 75 88.994 10.743 -9.395 1.00 0.00 H new ATOM 1195 N THR A 76 94.340 7.139 -10.306 1.00 0.00 N ATOM 1196 CA THR A 76 95.562 6.848 -10.950 1.00 0.00 C ATOM 1197 C THR A 76 96.543 7.013 -9.879 1.00 0.00 C ATOM 1198 O THR A 76 96.275 7.846 -8.987 1.00 0.00 O ATOM 1199 CB THR A 76 95.960 7.679 -12.203 1.00 0.00 C ATOM 1200 OG1 THR A 76 95.758 9.065 -12.000 1.00 0.00 O ATOM 1201 CG2 THR A 76 95.264 7.188 -13.460 1.00 0.00 C ATOM 0 H THR A 76 94.495 7.579 -9.399 1.00 0.00 H new ATOM 0 HA THR A 76 95.491 5.856 -11.396 1.00 0.00 H new ATOM 0 HB THR A 76 97.029 7.527 -12.354 1.00 0.00 H new ATOM 0 HG1 THR A 76 95.395 9.466 -12.817 1.00 0.00 H new ATOM 0 HG21 THR A 76 95.573 7.798 -14.309 1.00 0.00 H new ATOM 0 HG22 THR A 76 95.535 6.148 -13.643 1.00 0.00 H new ATOM 0 HG23 THR A 76 94.184 7.265 -13.332 1.00 0.00 H new ATOM 1209 N HIS A 77 97.568 6.241 -9.820 1.00 0.00 N ATOM 1210 CA HIS A 77 98.619 6.513 -8.843 1.00 0.00 C ATOM 1211 C HIS A 77 99.083 8.002 -8.921 1.00 0.00 C ATOM 1212 O HIS A 77 99.396 8.619 -7.912 1.00 0.00 O ATOM 1213 CB HIS A 77 99.783 5.587 -9.042 1.00 0.00 C ATOM 1214 CG HIS A 77 100.274 5.001 -7.785 1.00 0.00 C ATOM 1215 ND1 HIS A 77 99.683 4.101 -6.981 1.00 0.00 N flip ATOM 1216 CD2 HIS A 77 101.499 5.268 -7.230 1.00 0.00 C flip ATOM 1217 CE1 HIS A 77 100.534 3.804 -5.933 1.00 0.00 C flip ATOM 1218 NE2 HIS A 77 101.616 4.536 -6.133 1.00 0.00 N flip ATOM 0 H HIS A 77 97.722 5.426 -10.413 1.00 0.00 H new ATOM 0 HA HIS A 77 98.207 6.338 -7.849 1.00 0.00 H new ATOM 0 HB2 HIS A 77 99.490 4.785 -9.720 1.00 0.00 H new ATOM 0 HB3 HIS A 77 100.595 6.132 -9.524 1.00 0.00 H new ATOM 0 HD2 HIS A 77 102.237 5.954 -7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 77 100.352 3.117 -5.120 1.00 0.00 H new ATOM 0 HE2 HIS A 77 102.433 4.537 -5.523 1.00 0.00 H new ATOM 1226 N ALA A 78 99.064 8.577 -10.117 1.00 0.00 N ATOM 1227 CA ALA A 78 99.364 9.991 -10.283 1.00 0.00 C ATOM 1228 C ALA A 78 98.348 10.863 -9.521 1.00 0.00 C ATOM 1229 O ALA A 78 98.732 11.792 -8.794 1.00 0.00 O ATOM 1230 CB ALA A 78 99.390 10.367 -11.752 1.00 0.00 C ATOM 0 H ALA A 78 98.844 8.086 -10.984 1.00 0.00 H new ATOM 0 HA ALA A 78 100.353 10.175 -9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 78 99.616 11.429 -11.852 1.00 0.00 H new ATOM 0 HB2 ALA A 78 100.155 9.783 -12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 78 98.417 10.160 -12.198 1.00 0.00 H new ATOM 1236 N GLN A 79 97.063 10.537 -9.658 1.00 0.00 N ATOM 1237 CA GLN A 79 96.012 11.261 -8.988 1.00 0.00 C ATOM 1238 C GLN A 79 96.077 11.126 -7.487 1.00 0.00 C ATOM 1239 O GLN A 79 95.922 12.096 -6.766 1.00 0.00 O ATOM 1240 CB GLN A 79 94.671 10.807 -9.468 1.00 0.00 C ATOM 1241 CG GLN A 79 94.276 11.371 -10.809 1.00 0.00 C ATOM 1242 CD GLN A 79 94.088 12.878 -10.831 1.00 0.00 C ATOM 1243 OE1 GLN A 79 94.732 13.630 -10.106 1.00 0.00 O ATOM 1244 NE2 GLN A 79 93.192 13.323 -11.638 1.00 0.00 N ATOM 0 H GLN A 79 96.734 9.764 -10.237 1.00 0.00 H new ATOM 0 HA GLN A 79 96.159 12.313 -9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 79 94.667 9.719 -9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 79 93.919 11.088 -8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 79 95.039 11.103 -11.540 1.00 0.00 H new ATOM 0 HG3 GLN A 79 93.348 10.898 -11.128 1.00 0.00 H new ATOM 0 HE21 GLN A 79 92.671 12.675 -12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 79 93.002 14.324 -11.687 1.00 0.00 H new ATOM 1253 N VAL A 80 96.321 9.922 -7.019 1.00 0.00 N ATOM 1254 CA VAL A 80 96.380 9.665 -5.601 1.00 0.00 C ATOM 1255 C VAL A 80 97.521 10.450 -4.948 1.00 0.00 C ATOM 1256 O VAL A 80 97.318 11.101 -3.922 1.00 0.00 O ATOM 1257 CB VAL A 80 96.480 8.145 -5.278 1.00 0.00 C ATOM 1258 CG1 VAL A 80 95.364 7.370 -5.910 1.00 0.00 C ATOM 1259 CG2 VAL A 80 97.821 7.545 -5.618 1.00 0.00 C ATOM 0 H VAL A 80 96.482 9.103 -7.605 1.00 0.00 H new ATOM 0 HA VAL A 80 95.440 10.014 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 80 96.378 8.068 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 80 95.468 6.314 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 80 94.408 7.738 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 80 95.402 7.494 -6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 80 97.819 6.484 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 80 98.014 7.665 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 80 98.601 8.051 -5.049 1.00 0.00 H new ATOM 1269 N VAL A 81 98.694 10.455 -5.595 1.00 0.00 N ATOM 1270 CA VAL A 81 99.834 11.171 -5.082 1.00 0.00 C ATOM 1271 C VAL A 81 99.546 12.658 -5.078 1.00 0.00 C ATOM 1272 O VAL A 81 99.821 13.330 -4.104 1.00 0.00 O ATOM 1273 CB VAL A 81 101.148 10.841 -5.859 1.00 0.00 C ATOM 1274 CG1 VAL A 81 102.316 11.694 -5.366 1.00 0.00 C ATOM 1275 CG2 VAL A 81 101.490 9.366 -5.691 1.00 0.00 C ATOM 0 H VAL A 81 98.863 9.966 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 81 100.003 10.842 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 81 100.981 11.066 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 81 103.215 11.439 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 81 102.083 12.749 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 81 102.484 11.503 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 81 102.407 9.141 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 81 101.631 9.143 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 81 100.676 8.757 -6.084 1.00 0.00 H new ATOM 1285 N LYS A 82 98.902 13.147 -6.133 1.00 0.00 N ATOM 1286 CA LYS A 82 98.535 14.544 -6.216 1.00 0.00 C ATOM 1287 C LYS A 82 97.563 14.939 -5.097 1.00 0.00 C ATOM 1288 O LYS A 82 97.669 16.011 -4.560 1.00 0.00 O ATOM 1289 CB LYS A 82 98.042 14.886 -7.654 1.00 0.00 C ATOM 1290 CG LYS A 82 96.821 15.791 -7.787 1.00 0.00 C ATOM 1291 CD LYS A 82 95.559 15.000 -7.509 1.00 0.00 C ATOM 1292 CE LYS A 82 94.295 15.807 -7.518 1.00 0.00 C ATOM 1293 NZ LYS A 82 93.955 16.310 -8.872 1.00 0.00 N ATOM 0 H LYS A 82 98.626 12.589 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 82 99.416 15.162 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 82 98.868 15.355 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 82 97.822 13.949 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 82 96.898 16.625 -7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 82 96.780 16.216 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 82 95.473 14.208 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 82 95.657 14.516 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.474 15.195 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.401 16.651 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.953 16.589 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.549 17.134 -9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.124 15.561 -9.573 1.00 0.00 H new ATOM 1307 N ILE A 83 96.631 14.057 -4.757 1.00 0.00 N ATOM 1308 CA ILE A 83 95.681 14.279 -3.675 1.00 0.00 C ATOM 1309 C ILE A 83 96.393 14.355 -2.311 1.00 0.00 C ATOM 1310 O ILE A 83 96.098 15.205 -1.478 1.00 0.00 O ATOM 1311 CB ILE A 83 94.587 13.189 -3.702 1.00 0.00 C ATOM 1312 CG1 ILE A 83 93.633 13.452 -4.863 1.00 0.00 C ATOM 1313 CG2 ILE A 83 93.845 13.046 -2.377 1.00 0.00 C ATOM 1314 CD1 ILE A 83 92.495 12.468 -4.961 1.00 0.00 C ATOM 0 H ILE A 83 96.513 13.160 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 83 95.197 15.244 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 83 95.081 12.229 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 83 93.222 14.457 -4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 83 94.198 13.431 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 83 93.091 12.264 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 83 94.552 12.782 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 83 93.361 13.990 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 83 91.864 12.725 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 83 92.894 11.463 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 83 91.903 12.504 -4.046 1.00 0.00 H new ATOM 1326 N PHE A 84 97.349 13.514 -2.131 1.00 0.00 N ATOM 1327 CA PHE A 84 98.164 13.511 -0.911 1.00 0.00 C ATOM 1328 C PHE A 84 99.065 14.733 -0.865 1.00 0.00 C ATOM 1329 O PHE A 84 99.329 15.285 0.192 1.00 0.00 O ATOM 1330 CB PHE A 84 98.963 12.214 -0.785 1.00 0.00 C ATOM 1331 CG PHE A 84 98.079 11.031 -0.565 1.00 0.00 C ATOM 1332 CD1 PHE A 84 97.025 11.118 0.325 1.00 0.00 C ATOM 1333 CD2 PHE A 84 98.272 9.853 -1.258 1.00 0.00 C ATOM 1334 CE1 PHE A 84 96.186 10.073 0.531 1.00 0.00 C ATOM 1335 CE2 PHE A 84 97.428 8.782 -1.064 1.00 0.00 C ATOM 1336 CZ PHE A 84 96.377 8.888 -0.164 1.00 0.00 C ATOM 0 H PHE A 84 97.609 12.798 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 84 97.495 13.561 -0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 84 99.553 12.062 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 84 99.666 12.300 0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 84 96.866 12.038 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 84 99.091 9.770 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 84 95.371 10.163 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 84 97.584 7.863 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 84 95.711 8.052 -0.006 1.00 0.00 H new ATOM 1346 N GLN A 85 99.500 15.150 -2.031 1.00 0.00 N ATOM 1347 CA GLN A 85 100.265 16.362 -2.227 1.00 0.00 C ATOM 1348 C GLN A 85 99.380 17.595 -2.082 1.00 0.00 C ATOM 1349 O GLN A 85 99.855 18.709 -1.852 1.00 0.00 O ATOM 1350 CB GLN A 85 100.887 16.303 -3.596 1.00 0.00 C ATOM 1351 CG GLN A 85 102.098 15.409 -3.636 1.00 0.00 C ATOM 1352 CD GLN A 85 103.224 15.918 -2.766 1.00 0.00 C ATOM 1353 OE1 GLN A 85 103.331 15.583 -1.580 1.00 0.00 O ATOM 1354 NE2 GLN A 85 104.055 16.737 -3.336 1.00 0.00 N ATOM 0 H GLN A 85 99.326 14.640 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 85 101.043 16.438 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 85 100.149 15.943 -4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 85 101.170 17.308 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 85 101.817 14.407 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 85 102.448 15.324 -4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 85 103.932 16.988 -4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 85 104.831 17.129 -2.803 1.00 0.00 H new ATOM 1363 N SER A 86 98.099 17.379 -2.228 1.00 0.00 N ATOM 1364 CA SER A 86 97.094 18.387 -2.057 1.00 0.00 C ATOM 1365 C SER A 86 96.882 18.639 -0.567 1.00 0.00 C ATOM 1366 O SER A 86 96.911 19.786 -0.105 1.00 0.00 O ATOM 1367 CB SER A 86 95.801 17.922 -2.729 1.00 0.00 C ATOM 1368 OG SER A 86 95.923 17.907 -4.150 1.00 0.00 O ATOM 0 H SER A 86 97.718 16.466 -2.477 1.00 0.00 H new ATOM 0 HA SER A 86 97.408 19.322 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 86 95.545 16.923 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 86 94.983 18.582 -2.441 1.00 0.00 H new ATOM 0 HG SER A 86 96.282 17.042 -4.438 1.00 0.00 H new ATOM 1374 N ILE A 87 96.716 17.565 0.173 1.00 0.00 N ATOM 1375 CA ILE A 87 96.564 17.616 1.598 1.00 0.00 C ATOM 1376 C ILE A 87 97.860 18.110 2.251 1.00 0.00 C ATOM 1377 O ILE A 87 98.944 17.716 1.855 1.00 0.00 O ATOM 1378 CB ILE A 87 96.054 16.240 2.130 1.00 0.00 C ATOM 1379 CG1 ILE A 87 94.555 16.170 1.877 1.00 0.00 C ATOM 1380 CG2 ILE A 87 96.389 15.953 3.602 1.00 0.00 C ATOM 1381 CD1 ILE A 87 93.922 14.871 2.255 1.00 0.00 C ATOM 0 H ILE A 87 96.683 16.621 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 87 95.801 18.343 1.875 1.00 0.00 H new ATOM 0 HB ILE A 87 96.585 15.458 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 87 94.068 16.972 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 87 94.369 16.356 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 87 95.995 14.976 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 87 97.471 15.960 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 87 95.940 16.719 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 87 92.854 14.911 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 87 94.378 14.064 1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 87 94.072 14.689 3.319 1.00 0.00 H new ATOM 1393 N PRO A 88 97.758 19.018 3.214 1.00 0.00 N ATOM 1394 CA PRO A 88 98.910 19.688 3.807 1.00 0.00 C ATOM 1395 C PRO A 88 99.521 18.929 4.997 1.00 0.00 C ATOM 1396 O PRO A 88 98.911 18.030 5.554 1.00 0.00 O ATOM 1397 CB PRO A 88 98.329 21.022 4.272 1.00 0.00 C ATOM 1398 CG PRO A 88 96.821 20.868 4.261 1.00 0.00 C ATOM 1399 CD PRO A 88 96.514 19.451 3.857 1.00 0.00 C ATOM 0 HA PRO A 88 99.730 19.772 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.685 21.272 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.640 21.831 3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.406 21.084 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.369 21.572 3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 88 96.267 18.830 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 88 95.667 19.400 3.173 1.00 0.00 H new ATOM 1407 N ILE A 89 100.759 19.269 5.329 1.00 0.00 N ATOM 1408 CA ILE A 89 101.466 18.682 6.465 1.00 0.00 C ATOM 1409 C ILE A 89 100.783 19.017 7.745 1.00 0.00 C ATOM 1410 O ILE A 89 100.425 20.177 7.997 1.00 0.00 O ATOM 1411 CB ILE A 89 102.938 19.133 6.523 1.00 0.00 C ATOM 1412 CG1 ILE A 89 103.716 18.521 5.420 1.00 0.00 C ATOM 1413 CG2 ILE A 89 103.622 18.885 7.874 1.00 0.00 C ATOM 1414 CD1 ILE A 89 103.820 17.052 5.523 1.00 0.00 C ATOM 0 H ILE A 89 101.305 19.962 4.818 1.00 0.00 H new ATOM 0 HA ILE A 89 101.451 17.601 6.324 1.00 0.00 H new ATOM 0 HB ILE A 89 102.919 20.216 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 89 103.250 18.779 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 89 104.718 18.949 5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 89 104.655 19.231 7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 89 103.091 19.429 8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 89 103.607 17.819 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 89 104.402 16.669 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 89 104.313 16.787 6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 89 102.822 16.614 5.502 1.00 0.00 H new ATOM 1426 N GLY A 90 100.603 18.017 8.537 1.00 0.00 N ATOM 1427 CA GLY A 90 99.926 18.214 9.802 1.00 0.00 C ATOM 1428 C GLY A 90 98.446 17.905 9.704 1.00 0.00 C ATOM 1429 O GLY A 90 97.669 18.229 10.612 1.00 0.00 O ATOM 0 H GLY A 90 100.905 17.061 8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 90 100.381 17.577 10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.061 19.245 10.129 1.00 0.00 H new ATOM 1433 N ALA A 91 98.054 17.290 8.609 1.00 0.00 N ATOM 1434 CA ALA A 91 96.646 17.011 8.350 1.00 0.00 C ATOM 1435 C ALA A 91 96.337 15.583 8.707 1.00 0.00 C ATOM 1436 O ALA A 91 97.132 14.925 9.348 1.00 0.00 O ATOM 1437 CB ALA A 91 96.343 17.249 6.896 1.00 0.00 C ATOM 0 H ALA A 91 98.689 16.970 7.877 1.00 0.00 H new ATOM 0 HA ALA A 91 96.030 17.673 8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 91 95.290 17.040 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 91 96.558 18.288 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 91 96.961 16.592 6.283 1.00 0.00 H new ATOM 1443 N SER A 92 95.162 15.122 8.381 1.00 0.00 N ATOM 1444 CA SER A 92 94.820 13.729 8.524 1.00 0.00 C ATOM 1445 C SER A 92 93.795 13.403 7.489 1.00 0.00 C ATOM 1446 O SER A 92 93.105 14.307 7.017 1.00 0.00 O ATOM 1447 CB SER A 92 94.261 13.419 9.873 1.00 0.00 C ATOM 1448 OG SER A 92 95.080 13.943 10.920 1.00 0.00 O ATOM 0 H SER A 92 94.410 15.701 8.007 1.00 0.00 H new ATOM 0 HA SER A 92 95.726 13.135 8.402 1.00 0.00 H new ATOM 0 HB2 SER A 92 93.257 13.835 9.955 1.00 0.00 H new ATOM 0 HB3 SER A 92 94.169 12.339 9.989 1.00 0.00 H new ATOM 0 HG SER A 92 94.682 13.722 11.788 1.00 0.00 H new ATOM 1454 N VAL A 93 93.679 12.141 7.110 1.00 0.00 N ATOM 1455 CA VAL A 93 92.769 11.817 6.038 1.00 0.00 C ATOM 1456 C VAL A 93 92.046 10.553 6.282 1.00 0.00 C ATOM 1457 O VAL A 93 92.682 9.539 6.427 1.00 0.00 O ATOM 1458 CB VAL A 93 93.498 11.567 4.735 1.00 0.00 C ATOM 1459 CG1 VAL A 93 92.689 11.857 3.544 1.00 0.00 C ATOM 1460 CG2 VAL A 93 94.867 12.130 4.699 1.00 0.00 C ATOM 0 H VAL A 93 94.186 11.354 7.515 1.00 0.00 H new ATOM 0 HA VAL A 93 92.099 12.675 5.987 1.00 0.00 H new ATOM 0 HB VAL A 93 93.654 10.489 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 93 93.276 11.655 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 93 91.800 11.226 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 93 92.390 12.905 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 93 95.325 11.911 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 93 94.820 13.210 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 93 95.465 11.685 5.494 1.00 0.00 H new ATOM 1470 N ASP A 94 90.746 10.582 6.236 1.00 0.00 N ATOM 1471 CA ASP A 94 90.001 9.356 6.351 1.00 0.00 C ATOM 1472 C ASP A 94 90.032 8.651 4.993 1.00 0.00 C ATOM 1473 O ASP A 94 89.390 9.072 4.040 1.00 0.00 O ATOM 1474 CB ASP A 94 88.556 9.563 6.815 1.00 0.00 C ATOM 1475 CG ASP A 94 88.404 10.288 8.140 1.00 0.00 C ATOM 1476 OD1 ASP A 94 88.408 9.637 9.211 1.00 0.00 O ATOM 1477 OD2 ASP A 94 88.220 11.532 8.136 1.00 0.00 O ATOM 0 H ASP A 94 90.184 11.425 6.122 1.00 0.00 H new ATOM 0 HA ASP A 94 90.471 8.745 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 94 88.021 10.123 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 94 88.073 8.589 6.894 1.00 0.00 H new ATOM 1482 N LEU A 95 90.831 7.640 4.923 1.00 0.00 N ATOM 1483 CA LEU A 95 91.067 6.847 3.756 1.00 0.00 C ATOM 1484 C LEU A 95 90.294 5.555 3.897 1.00 0.00 C ATOM 1485 O LEU A 95 89.965 5.133 5.019 1.00 0.00 O ATOM 1486 CB LEU A 95 92.557 6.490 3.685 1.00 0.00 C ATOM 1487 CG LEU A 95 93.546 7.649 3.734 1.00 0.00 C ATOM 1488 CD1 LEU A 95 94.965 7.128 3.820 1.00 0.00 C ATOM 1489 CD2 LEU A 95 93.396 8.516 2.519 1.00 0.00 C ATOM 0 H LEU A 95 91.372 7.323 5.728 1.00 0.00 H new ATOM 0 HA LEU A 95 90.762 7.397 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 95 92.784 5.815 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 95 92.730 5.935 2.763 1.00 0.00 H new ATOM 0 HG LEU A 95 93.333 8.244 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 95 95.659 7.968 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 95 95.078 6.527 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 95 95.181 6.514 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 95 94.109 9.339 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 95 93.587 7.924 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 95 92.383 8.916 2.480 1.00 0.00 H new ATOM 1501 N GLU A 96 90.014 4.926 2.799 1.00 0.00 N ATOM 1502 CA GLU A 96 89.351 3.657 2.839 1.00 0.00 C ATOM 1503 C GLU A 96 90.269 2.590 2.249 1.00 0.00 C ATOM 1504 O GLU A 96 90.751 2.725 1.102 1.00 0.00 O ATOM 1505 CB GLU A 96 88.007 3.728 2.117 1.00 0.00 C ATOM 1506 CG GLU A 96 87.116 2.514 2.318 1.00 0.00 C ATOM 1507 CD GLU A 96 85.709 2.765 1.845 1.00 0.00 C ATOM 1508 OE1 GLU A 96 84.965 3.495 2.532 1.00 0.00 O ATOM 1509 OE2 GLU A 96 85.307 2.263 0.785 1.00 0.00 O ATOM 0 H GLU A 96 90.233 5.268 1.864 1.00 0.00 H new ATOM 0 HA GLU A 96 89.136 3.385 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 96 87.473 4.615 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 96 88.189 3.856 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 96 87.534 1.664 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 96 87.101 2.246 3.374 1.00 0.00 H new ATOM 1516 N LEU A 97 90.555 1.600 3.062 1.00 0.00 N ATOM 1517 CA LEU A 97 91.395 0.465 2.731 1.00 0.00 C ATOM 1518 C LEU A 97 90.536 -0.755 2.507 1.00 0.00 C ATOM 1519 O LEU A 97 89.373 -0.789 2.901 1.00 0.00 O ATOM 1520 CB LEU A 97 92.347 0.121 3.887 1.00 0.00 C ATOM 1521 CG LEU A 97 93.375 1.149 4.285 1.00 0.00 C ATOM 1522 CD1 LEU A 97 94.010 0.746 5.604 1.00 0.00 C ATOM 1523 CD2 LEU A 97 94.433 1.232 3.220 1.00 0.00 C ATOM 0 H LEU A 97 90.194 1.559 4.015 1.00 0.00 H new ATOM 0 HA LEU A 97 91.962 0.733 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 97 91.740 -0.102 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 97 92.875 -0.795 3.624 1.00 0.00 H new ATOM 0 HG LEU A 97 92.896 2.121 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 97 94.753 1.489 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.241 0.684 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.492 -0.225 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 97 95.178 1.975 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 97 94.914 0.260 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 97 93.975 1.521 2.274 1.00 0.00 H new ATOM 1535 N CYS A 98 91.115 -1.738 1.908 1.00 0.00 N ATOM 1536 CA CYS A 98 90.488 -2.991 1.687 1.00 0.00 C ATOM 1537 C CYS A 98 91.489 -4.113 1.890 1.00 0.00 C ATOM 1538 O CYS A 98 92.482 -4.197 1.234 1.00 0.00 O ATOM 1539 CB CYS A 98 89.864 -3.039 0.293 1.00 0.00 C ATOM 1540 SG CYS A 98 89.306 -4.668 -0.246 1.00 0.00 S ATOM 0 H CYS A 98 92.068 -1.688 1.548 1.00 0.00 H new ATOM 0 HA CYS A 98 89.683 -3.122 2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 98 89.015 -2.356 0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 98 90.593 -2.666 -0.427 1.00 0.00 H new ATOM 0 HG CYS A 98 88.075 -4.591 -0.658 1.00 0.00 H new ATOM 1546 N ARG A 99 91.257 -4.918 2.833 1.00 0.00 N ATOM 1547 CA ARG A 99 92.111 -6.045 3.055 1.00 0.00 C ATOM 1548 C ARG A 99 91.581 -7.291 2.486 1.00 0.00 C ATOM 1549 O ARG A 99 90.393 -7.604 2.605 1.00 0.00 O ATOM 1550 CB ARG A 99 92.547 -6.229 4.475 1.00 0.00 C ATOM 1551 CG ARG A 99 93.662 -5.308 4.815 1.00 0.00 C ATOM 1552 CD ARG A 99 94.270 -5.600 6.149 1.00 0.00 C ATOM 1553 NE ARG A 99 93.327 -5.431 7.187 1.00 0.00 N ATOM 1554 CZ ARG A 99 93.465 -4.570 8.213 1.00 0.00 C ATOM 1555 NH1 ARG A 99 94.283 -3.518 8.101 1.00 0.00 N ATOM 1556 NH2 ARG A 99 92.670 -4.673 9.274 1.00 0.00 N ATOM 0 H ARG A 99 90.477 -4.835 3.485 1.00 0.00 H new ATOM 0 HA ARG A 99 93.017 -5.795 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 99 91.705 -6.049 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 99 92.863 -7.261 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 99 94.432 -5.378 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 99 93.295 -4.282 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 99 94.651 -6.621 6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 99 95.121 -4.940 6.316 1.00 0.00 H new ATOM 0 HE ARG A 99 92.482 -6.001 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 99 94.804 -3.367 7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 99 94.386 -2.867 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 99 91.958 -5.403 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 99 92.772 -4.022 10.053 1.00 0.00 H new ATOM 1570 N GLY A 100 92.454 -7.990 1.857 1.00 0.00 N ATOM 1571 CA GLY A 100 92.102 -9.224 1.226 1.00 0.00 C ATOM 1572 C GLY A 100 92.996 -9.490 0.095 1.00 0.00 C ATOM 1573 O GLY A 100 93.190 -10.640 -0.307 1.00 0.00 O ATOM 0 H GLY A 100 93.435 -7.729 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 100 92.164 -10.039 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 100 91.069 -9.182 0.880 1.00 0.00 H new ATOM 1577 N TYR A 101 93.543 -8.444 -0.442 1.00 0.00 N ATOM 1578 CA TYR A 101 94.465 -8.582 -1.513 1.00 0.00 C ATOM 1579 C TYR A 101 95.853 -8.914 -1.010 1.00 0.00 C ATOM 1580 O TYR A 101 96.275 -8.418 0.050 1.00 0.00 O ATOM 1581 CB TYR A 101 94.450 -7.359 -2.416 1.00 0.00 C ATOM 1582 CG TYR A 101 93.326 -7.404 -3.412 1.00 0.00 C ATOM 1583 CD1 TYR A 101 92.001 -7.226 -3.022 1.00 0.00 C ATOM 1584 CD2 TYR A 101 93.593 -7.657 -4.745 1.00 0.00 C ATOM 1585 CE1 TYR A 101 90.980 -7.299 -3.945 1.00 0.00 C ATOM 1586 CE2 TYR A 101 92.587 -7.725 -5.669 1.00 0.00 C ATOM 1587 CZ TYR A 101 91.289 -7.550 -5.278 1.00 0.00 C ATOM 1588 OH TYR A 101 90.294 -7.633 -6.224 1.00 0.00 O ATOM 0 H TYR A 101 93.362 -7.483 -0.151 1.00 0.00 H new ATOM 0 HA TYR A 101 94.145 -9.427 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 101 94.357 -6.460 -1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 101 95.400 -7.289 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 101 91.771 -7.029 -1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 101 94.615 -7.804 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 101 89.954 -7.163 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 101 92.818 -7.917 -6.706 1.00 0.00 H new ATOM 0 HH TYR A 101 90.300 -6.824 -6.777 1.00 0.00 H new ATOM 1598 N PRO A 102 96.549 -9.818 -1.749 1.00 0.00 N ATOM 1599 CA PRO A 102 97.909 -10.255 -1.431 1.00 0.00 C ATOM 1600 C PRO A 102 98.841 -9.078 -1.297 1.00 0.00 C ATOM 1601 O PRO A 102 98.731 -8.100 -2.044 1.00 0.00 O ATOM 1602 CB PRO A 102 98.315 -11.112 -2.644 1.00 0.00 C ATOM 1603 CG PRO A 102 97.307 -10.816 -3.697 1.00 0.00 C ATOM 1604 CD PRO A 102 96.052 -10.479 -2.968 1.00 0.00 C ATOM 0 HA PRO A 102 97.958 -10.795 -0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 102 99.320 -10.862 -2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 102 98.319 -12.172 -2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 102 97.630 -9.986 -4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 102 97.161 -11.675 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 102 95.410 -9.820 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 102 95.468 -11.369 -2.736 1.00 0.00 H new ATOM 1612 N LEU A 103 99.733 -9.173 -0.349 1.00 0.00 N ATOM 1613 CA LEU A 103 100.642 -8.127 -0.039 1.00 0.00 C ATOM 1614 C LEU A 103 101.598 -7.932 -1.211 1.00 0.00 C ATOM 1615 O LEU A 103 102.126 -8.907 -1.757 1.00 0.00 O ATOM 1616 CB LEU A 103 101.404 -8.532 1.173 1.00 0.00 C ATOM 1617 CG LEU A 103 101.893 -7.420 2.078 1.00 0.00 C ATOM 1618 CD1 LEU A 103 102.178 -7.994 3.414 1.00 0.00 C ATOM 1619 CD2 LEU A 103 103.146 -6.761 1.541 1.00 0.00 C ATOM 0 H LEU A 103 99.843 -10.001 0.236 1.00 0.00 H new ATOM 0 HA LEU A 103 100.112 -7.192 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 103 100.774 -9.198 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 103 102.268 -9.113 0.852 1.00 0.00 H new ATOM 0 HG LEU A 103 101.117 -6.656 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 103 102.532 -7.207 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 103 101.268 -8.434 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 103 102.944 -8.764 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 103 103.461 -5.970 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 103 103.939 -7.503 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 103 102.941 -6.335 0.559 1.00 0.00 H new ATOM 1631 N PRO A 104 101.782 -6.665 -1.614 1.00 0.00 N ATOM 1632 CA PRO A 104 102.606 -6.259 -2.725 1.00 0.00 C ATOM 1633 C PRO A 104 103.926 -6.943 -2.863 1.00 0.00 C ATOM 1634 O PRO A 104 104.700 -7.105 -1.909 1.00 0.00 O ATOM 1635 CB PRO A 104 102.788 -4.799 -2.499 1.00 0.00 C ATOM 1636 CG PRO A 104 101.483 -4.410 -1.995 1.00 0.00 C ATOM 1637 CD PRO A 104 101.115 -5.500 -1.039 1.00 0.00 C ATOM 0 HA PRO A 104 102.116 -6.531 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 104 103.582 -4.593 -1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 104 103.045 -4.272 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 104 101.522 -3.441 -1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 104 100.754 -4.325 -2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 104 101.466 -5.289 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 104 100.036 -5.639 -0.979 1.00 0.00 H new ATOM 1645 N PHE A 105 104.163 -7.251 -4.101 1.00 0.00 N ATOM 1646 CA PHE A 105 105.310 -7.966 -4.617 1.00 0.00 C ATOM 1647 C PHE A 105 106.624 -7.339 -4.163 1.00 0.00 C ATOM 1648 O PHE A 105 106.715 -6.118 -3.921 1.00 0.00 O ATOM 1649 CB PHE A 105 105.201 -8.005 -6.160 1.00 0.00 C ATOM 1650 CG PHE A 105 106.287 -8.759 -6.891 1.00 0.00 C ATOM 1651 CD1 PHE A 105 106.225 -10.134 -7.020 1.00 0.00 C ATOM 1652 CD2 PHE A 105 107.362 -8.086 -7.459 1.00 0.00 C ATOM 1653 CE1 PHE A 105 107.213 -10.827 -7.694 1.00 0.00 C ATOM 1654 CE2 PHE A 105 108.349 -8.774 -8.135 1.00 0.00 C ATOM 1655 CZ PHE A 105 108.275 -10.146 -8.252 1.00 0.00 C ATOM 0 H PHE A 105 103.513 -6.992 -4.843 1.00 0.00 H new ATOM 0 HA PHE A 105 105.312 -8.982 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 105 104.241 -8.448 -6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 105 105.190 -6.979 -6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 105 105.395 -10.673 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 105 107.426 -7.012 -7.370 1.00 0.00 H new ATOM 0 HE1 PHE A 105 107.154 -11.902 -7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 105 109.179 -8.238 -8.572 1.00 0.00 H new ATOM 0 HZ PHE A 105 109.047 -10.686 -8.780 1.00 0.00 H new ATOM 1665 N ASP A 106 107.606 -8.174 -4.026 1.00 0.00 N ATOM 1666 CA ASP A 106 108.926 -7.793 -3.599 1.00 0.00 C ATOM 1667 C ASP A 106 109.960 -8.073 -4.651 1.00 0.00 C ATOM 1668 O ASP A 106 110.292 -9.226 -4.938 1.00 0.00 O ATOM 1669 CB ASP A 106 109.261 -8.470 -2.281 1.00 0.00 C ATOM 1670 CG ASP A 106 110.739 -8.726 -2.037 1.00 0.00 C ATOM 1671 OD1 ASP A 106 111.471 -7.793 -1.733 1.00 0.00 O ATOM 1672 OD2 ASP A 106 111.175 -9.906 -2.117 1.00 0.00 O ATOM 0 H ASP A 106 107.513 -9.172 -4.213 1.00 0.00 H new ATOM 0 HA ASP A 106 108.936 -6.714 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 106 108.877 -7.854 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 106 108.732 -9.422 -2.236 1.00 0.00 H new ATOM 1677 N PRO A 107 110.365 -7.032 -5.349 1.00 0.00 N ATOM 1678 CA PRO A 107 111.483 -7.095 -6.238 1.00 0.00 C ATOM 1679 C PRO A 107 112.745 -6.521 -5.581 1.00 0.00 C ATOM 1680 O PRO A 107 113.724 -7.223 -5.358 1.00 0.00 O ATOM 1681 CB PRO A 107 111.022 -6.240 -7.412 1.00 0.00 C ATOM 1682 CG PRO A 107 110.063 -5.241 -6.817 1.00 0.00 C ATOM 1683 CD PRO A 107 109.679 -5.739 -5.434 1.00 0.00 C ATOM 0 HA PRO A 107 111.754 -8.110 -6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 107 111.864 -5.741 -7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 107 110.535 -6.847 -8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 107 110.526 -4.256 -6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 107 109.179 -5.138 -7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 107 110.009 -5.055 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 107 108.599 -5.847 -5.329 1.00 0.00 H new ATOM 1691 N ASP A 108 112.679 -5.260 -5.247 1.00 0.00 N ATOM 1692 CA ASP A 108 113.791 -4.548 -4.626 1.00 0.00 C ATOM 1693 C ASP A 108 113.324 -4.020 -3.297 1.00 0.00 C ATOM 1694 O ASP A 108 113.913 -3.116 -2.701 1.00 0.00 O ATOM 1695 CB ASP A 108 114.201 -3.403 -5.534 1.00 0.00 C ATOM 1696 CG ASP A 108 115.534 -2.737 -5.171 1.00 0.00 C ATOM 1697 OD1 ASP A 108 116.600 -3.239 -5.582 1.00 0.00 O ATOM 1698 OD2 ASP A 108 115.537 -1.690 -4.494 1.00 0.00 O ATOM 0 H ASP A 108 111.851 -4.683 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 108 114.647 -5.206 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 108 114.264 -3.774 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 108 113.417 -2.646 -5.517 1.00 0.00 H new ATOM 1703 N ASP A 109 112.261 -4.600 -2.826 1.00 0.00 N ATOM 1704 CA ASP A 109 111.642 -4.155 -1.568 1.00 0.00 C ATOM 1705 C ASP A 109 112.487 -4.531 -0.408 1.00 0.00 C ATOM 1706 O ASP A 109 112.796 -5.696 -0.180 1.00 0.00 O ATOM 1707 CB ASP A 109 110.224 -4.688 -1.404 1.00 0.00 C ATOM 1708 CG ASP A 109 109.494 -4.092 -0.224 1.00 0.00 C ATOM 1709 OD1 ASP A 109 109.681 -2.899 0.069 1.00 0.00 O ATOM 1710 OD2 ASP A 109 108.664 -4.785 0.369 1.00 0.00 O ATOM 0 H ASP A 109 111.789 -5.383 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 109 111.570 -3.068 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 109 109.659 -4.483 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 109 110.262 -5.771 -1.290 1.00 0.00 H new ATOM 1715 N PRO A 110 112.914 -3.520 0.342 1.00 0.00 N ATOM 1716 CA PRO A 110 113.752 -3.709 1.503 1.00 0.00 C ATOM 1717 C PRO A 110 112.995 -4.363 2.583 1.00 0.00 C ATOM 1718 O PRO A 110 113.503 -5.176 3.332 1.00 0.00 O ATOM 1719 CB PRO A 110 113.925 -2.306 1.986 1.00 0.00 C ATOM 1720 CG PRO A 110 112.787 -1.561 1.484 1.00 0.00 C ATOM 1721 CD PRO A 110 112.601 -2.062 0.139 1.00 0.00 C ATOM 0 HA PRO A 110 114.649 -4.283 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 110 113.963 -2.271 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 110 114.860 -1.881 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 110 111.901 -1.726 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 110 112.981 -0.488 1.486 1.00 0.00 H new ATOM 0 HD2 PRO A 110 111.586 -1.903 -0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 110 113.274 -1.589 -0.576 1.00 0.00 H new ATOM 1729 N ASN A 111 111.745 -3.969 2.606 1.00 0.00 N ATOM 1730 CA ASN A 111 110.796 -4.206 3.641 1.00 0.00 C ATOM 1731 C ASN A 111 110.575 -5.650 3.943 1.00 0.00 C ATOM 1732 O ASN A 111 109.965 -6.002 4.938 1.00 0.00 O ATOM 1733 CB ASN A 111 109.452 -3.563 3.359 1.00 0.00 C ATOM 1734 CG ASN A 111 109.431 -2.047 3.429 1.00 0.00 C ATOM 1735 OD1 ASN A 111 109.263 -1.460 4.498 1.00 0.00 O ATOM 1736 ND2 ASN A 111 109.511 -1.408 2.298 1.00 0.00 N ATOM 0 H ASN A 111 111.344 -3.433 1.836 1.00 0.00 H new ATOM 0 HA ASN A 111 111.250 -3.741 4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 111 109.122 -3.869 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 111 108.724 -3.953 4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 111 109.434 -0.391 2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 111 109.651 -1.924 1.429 1.00 0.00 H new ATOM 1743 N THR A 112 111.065 -6.482 3.102 1.00 0.00 N ATOM 1744 CA THR A 112 110.798 -7.857 3.215 1.00 0.00 C ATOM 1745 C THR A 112 112.003 -8.593 3.778 1.00 0.00 C ATOM 1746 O THR A 112 111.945 -9.786 4.090 1.00 0.00 O ATOM 1747 CB THR A 112 110.468 -8.443 1.845 1.00 0.00 C ATOM 1748 OG1 THR A 112 111.608 -8.218 0.973 1.00 0.00 O ATOM 1749 CG2 THR A 112 109.234 -7.788 1.246 1.00 0.00 C ATOM 0 H THR A 112 111.663 -6.224 2.317 1.00 0.00 H new ATOM 0 HA THR A 112 109.949 -7.979 3.888 1.00 0.00 H new ATOM 0 HB THR A 112 110.260 -9.508 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 112 111.618 -7.282 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 112 109.026 -8.228 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 112 108.381 -7.948 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 112 109.409 -6.718 1.132 1.00 0.00 H new ATOM 1757 N SER A 113 113.077 -7.890 3.893 1.00 0.00 N ATOM 1758 CA SER A 113 114.326 -8.447 4.268 1.00 0.00 C ATOM 1759 C SER A 113 114.905 -7.593 5.370 1.00 0.00 C ATOM 1760 O SER A 113 114.334 -6.564 5.713 1.00 0.00 O ATOM 1761 CB SER A 113 115.218 -8.403 3.023 1.00 0.00 C ATOM 1762 OG SER A 113 114.516 -8.946 1.893 1.00 0.00 O ATOM 0 H SER A 113 113.109 -6.885 3.724 1.00 0.00 H new ATOM 0 HA SER A 113 114.238 -9.472 4.628 1.00 0.00 H new ATOM 0 HB2 SER A 113 115.516 -7.375 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 113 116.132 -8.970 3.200 1.00 0.00 H new ATOM 0 HG SER A 113 115.093 -8.912 1.102 1.00 0.00 H new ATOM 1768 N LEU A 114 115.982 -8.026 5.945 1.00 0.00 N ATOM 1769 CA LEU A 114 116.667 -7.234 6.926 1.00 0.00 C ATOM 1770 C LEU A 114 117.367 -6.086 6.227 1.00 0.00 C ATOM 1771 O LEU A 114 117.677 -6.188 5.025 1.00 0.00 O ATOM 1772 CB LEU A 114 117.641 -8.076 7.759 1.00 0.00 C ATOM 1773 CG LEU A 114 117.038 -8.942 8.893 1.00 0.00 C ATOM 1774 CD1 LEU A 114 116.262 -8.086 9.884 1.00 0.00 C ATOM 1775 CD2 LEU A 114 116.172 -10.076 8.361 1.00 0.00 C ATOM 0 H LEU A 114 116.412 -8.931 5.752 1.00 0.00 H new ATOM 0 HA LEU A 114 115.940 -6.831 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 114 118.182 -8.736 7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 114 118.375 -7.403 8.202 1.00 0.00 H new ATOM 0 HG LEU A 114 117.877 -9.400 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 114 115.850 -8.721 10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 114 116.930 -7.347 10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 114 115.450 -7.576 9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 114 115.774 -10.652 9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 114 115.348 -9.663 7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 114 116.774 -10.726 7.726 1.00 0.00 H new ATOM 1787 N VAL A 115 117.614 -5.017 6.970 1.00 0.00 N ATOM 1788 CA VAL A 115 118.156 -3.766 6.454 1.00 0.00 C ATOM 1789 C VAL A 115 117.056 -3.112 5.588 1.00 0.00 C ATOM 1790 O VAL A 115 117.257 -2.690 4.438 1.00 0.00 O ATOM 1791 CB VAL A 115 119.512 -3.950 5.674 1.00 0.00 C ATOM 1792 CG1 VAL A 115 120.136 -2.607 5.289 1.00 0.00 C ATOM 1793 CG2 VAL A 115 120.510 -4.763 6.495 1.00 0.00 C ATOM 0 H VAL A 115 117.439 -4.994 7.975 1.00 0.00 H new ATOM 0 HA VAL A 115 118.420 -3.112 7.285 1.00 0.00 H new ATOM 0 HB VAL A 115 119.277 -4.492 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 115 121.069 -2.780 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.447 -2.056 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 115 120.337 -2.028 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.437 -4.875 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.714 -4.248 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 115 120.092 -5.747 6.705 1.00 0.00 H new ATOM 1803 N THR A 116 115.867 -3.104 6.147 1.00 0.00 N ATOM 1804 CA THR A 116 114.711 -2.535 5.512 1.00 0.00 C ATOM 1805 C THR A 116 114.571 -1.041 5.868 1.00 0.00 C ATOM 1806 O THR A 116 115.439 -0.449 6.547 1.00 0.00 O ATOM 1807 CB THR A 116 113.372 -3.388 5.822 1.00 0.00 C ATOM 1808 OG1 THR A 116 112.164 -2.637 5.602 1.00 0.00 O ATOM 1809 CG2 THR A 116 113.361 -3.984 7.219 1.00 0.00 C ATOM 0 H THR A 116 115.678 -3.499 7.068 1.00 0.00 H new ATOM 0 HA THR A 116 114.853 -2.592 4.433 1.00 0.00 H new ATOM 0 HB THR A 116 113.395 -4.208 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 116 111.517 -2.844 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 116 112.438 -4.545 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 116 114.214 -4.652 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 116 113.423 -3.184 7.956 1.00 0.00 H new ATOM 1817 N SER A 117 113.497 -0.464 5.410 1.00 0.00 N ATOM 1818 CA SER A 117 113.111 0.899 5.585 1.00 0.00 C ATOM 1819 C SER A 117 112.686 1.219 7.047 1.00 0.00 C ATOM 1820 O SER A 117 111.752 1.972 7.284 1.00 0.00 O ATOM 1821 CB SER A 117 111.963 1.150 4.613 1.00 0.00 C ATOM 1822 OG SER A 117 112.430 1.109 3.266 1.00 0.00 O ATOM 0 H SER A 117 112.814 -0.983 4.858 1.00 0.00 H new ATOM 0 HA SER A 117 113.958 1.555 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 117 111.186 0.399 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 117 111.511 2.120 4.818 1.00 0.00 H new ATOM 0 HG SER A 117 111.681 1.270 2.655 1.00 0.00 H new ATOM 1828 N VAL A 118 113.402 0.679 8.001 1.00 0.00 N ATOM 1829 CA VAL A 118 113.129 0.934 9.401 1.00 0.00 C ATOM 1830 C VAL A 118 114.265 1.788 9.959 1.00 0.00 C ATOM 1831 O VAL A 118 114.311 2.158 11.127 1.00 0.00 O ATOM 1832 CB VAL A 118 112.960 -0.402 10.191 1.00 0.00 C ATOM 1833 CG1 VAL A 118 114.254 -1.202 10.234 1.00 0.00 C ATOM 1834 CG2 VAL A 118 112.397 -0.179 11.587 1.00 0.00 C ATOM 0 H VAL A 118 114.189 0.052 7.834 1.00 0.00 H new ATOM 0 HA VAL A 118 112.188 1.473 9.509 1.00 0.00 H new ATOM 0 HB VAL A 118 112.227 -0.995 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 118 114.093 -2.124 10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 118 114.567 -1.443 9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 118 115.030 -0.613 10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.298 -1.137 12.097 1.00 0.00 H new ATOM 0 HG22 VAL A 118 113.071 0.465 12.152 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.419 0.296 11.513 1.00 0.00 H new ATOM 1844 N ALA A 119 115.139 2.127 9.068 1.00 0.00 N ATOM 1845 CA ALA A 119 116.326 2.897 9.356 1.00 0.00 C ATOM 1846 C ALA A 119 116.956 3.327 8.051 1.00 0.00 C ATOM 1847 O ALA A 119 117.864 2.668 7.537 1.00 0.00 O ATOM 1848 CB ALA A 119 117.325 2.082 10.188 1.00 0.00 C ATOM 0 H ALA A 119 115.052 1.872 8.084 1.00 0.00 H new ATOM 0 HA ALA A 119 116.050 3.774 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 119 118.209 2.687 10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 119 116.861 1.791 11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 119 117.615 1.188 9.635 1.00 0.00 H new ATOM 1854 N ILE A 120 116.464 4.398 7.495 1.00 0.00 N ATOM 1855 CA ILE A 120 117.002 4.906 6.253 1.00 0.00 C ATOM 1856 C ILE A 120 118.115 5.863 6.589 1.00 0.00 C ATOM 1857 O ILE A 120 117.905 7.075 6.771 1.00 0.00 O ATOM 1858 CB ILE A 120 115.956 5.605 5.299 1.00 0.00 C ATOM 1859 CG1 ILE A 120 114.808 4.664 4.890 1.00 0.00 C ATOM 1860 CG2 ILE A 120 116.640 6.124 4.038 1.00 0.00 C ATOM 1861 CD1 ILE A 120 113.791 4.403 5.965 1.00 0.00 C ATOM 0 H ILE A 120 115.690 4.941 7.878 1.00 0.00 H new ATOM 0 HA ILE A 120 117.353 4.044 5.686 1.00 0.00 H new ATOM 0 HB ILE A 120 115.532 6.434 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 120 114.300 5.089 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 120 115.233 3.712 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 120 115.902 6.602 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.406 6.849 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.101 5.292 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 120 113.023 3.730 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 120 114.280 3.945 6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 120 113.332 5.344 6.267 1.00 0.00 H new ATOM 1873 N LEU A 121 119.262 5.302 6.764 1.00 0.00 N ATOM 1874 CA LEU A 121 120.437 6.037 7.076 1.00 0.00 C ATOM 1875 C LEU A 121 121.285 6.038 5.838 1.00 0.00 C ATOM 1876 O LEU A 121 121.792 4.991 5.415 1.00 0.00 O ATOM 1877 CB LEU A 121 121.178 5.349 8.201 1.00 0.00 C ATOM 1878 CG LEU A 121 120.340 5.024 9.455 1.00 0.00 C ATOM 1879 CD1 LEU A 121 121.137 4.175 10.430 1.00 0.00 C ATOM 1880 CD2 LEU A 121 119.868 6.305 10.136 1.00 0.00 C ATOM 0 H LEU A 121 119.411 4.296 6.692 1.00 0.00 H new ATOM 0 HA LEU A 121 120.199 7.053 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 121 121.600 4.420 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 121 122.015 5.980 8.500 1.00 0.00 H new ATOM 0 HG LEU A 121 119.465 4.457 9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 121 120.527 3.958 11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 121 121.425 3.241 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 121 122.032 4.716 10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 121 119.279 6.053 11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 121 120.732 6.898 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 121 119.255 6.881 9.443 1.00 0.00 H new ATOM 1892 N ASP A 122 121.410 7.163 5.251 1.00 0.00 N ATOM 1893 CA ASP A 122 122.150 7.308 4.019 1.00 0.00 C ATOM 1894 C ASP A 122 123.607 7.392 4.297 1.00 0.00 C ATOM 1895 O ASP A 122 124.132 8.441 4.647 1.00 0.00 O ATOM 1896 CB ASP A 122 121.700 8.516 3.195 1.00 0.00 C ATOM 1897 CG ASP A 122 120.310 8.380 2.644 1.00 0.00 C ATOM 1898 OD1 ASP A 122 120.088 7.541 1.751 1.00 0.00 O ATOM 1899 OD2 ASP A 122 119.422 9.143 3.053 1.00 0.00 O ATOM 0 H ASP A 122 121.005 8.032 5.600 1.00 0.00 H new ATOM 0 HA ASP A 122 121.942 6.420 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 122 121.750 9.409 3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 122 122.397 8.663 2.370 1.00 0.00 H new ATOM 1904 N LYS A 123 124.258 6.287 4.208 1.00 0.00 N ATOM 1905 CA LYS A 123 125.675 6.235 4.413 1.00 0.00 C ATOM 1906 C LYS A 123 126.371 5.914 3.107 1.00 0.00 C ATOM 1907 O LYS A 123 127.575 5.673 3.068 1.00 0.00 O ATOM 1908 CB LYS A 123 126.015 5.243 5.523 1.00 0.00 C ATOM 1909 CG LYS A 123 125.466 5.640 6.912 1.00 0.00 C ATOM 1910 CD LYS A 123 126.418 6.544 7.738 1.00 0.00 C ATOM 1911 CE LYS A 123 126.732 7.924 7.129 1.00 0.00 C ATOM 1912 NZ LYS A 123 125.540 8.798 6.988 1.00 0.00 N ATOM 0 H LYS A 123 123.829 5.387 3.991 1.00 0.00 H new ATOM 0 HA LYS A 123 126.037 7.209 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 123 125.620 4.263 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 123 127.098 5.143 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 123 124.516 6.157 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 123 125.259 4.734 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 123 125.979 6.695 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 123 127.357 6.011 7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 123 127.469 8.428 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 123 127.187 7.784 6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 125.846 9.774 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 124.954 8.461 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 124.984 8.771 7.867 1.00 0.00 H new ATOM 1926 N GLU A 124 125.595 5.927 2.047 1.00 0.00 N ATOM 1927 CA GLU A 124 126.096 5.765 0.703 1.00 0.00 C ATOM 1928 C GLU A 124 126.745 7.104 0.310 1.00 0.00 C ATOM 1929 O GLU A 124 126.254 8.155 0.738 1.00 0.00 O ATOM 1930 CB GLU A 124 124.915 5.447 -0.247 1.00 0.00 C ATOM 1931 CG GLU A 124 125.303 5.131 -1.689 1.00 0.00 C ATOM 1932 CD GLU A 124 124.107 5.010 -2.605 1.00 0.00 C ATOM 1933 OE1 GLU A 124 123.488 3.918 -2.677 1.00 0.00 O ATOM 1934 OE2 GLU A 124 123.772 5.998 -3.282 1.00 0.00 O ATOM 0 H GLU A 124 124.584 6.052 2.096 1.00 0.00 H new ATOM 0 HA GLU A 124 126.817 4.950 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 124 124.364 4.598 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 124 124.234 6.298 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 124 125.963 5.914 -2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 124 125.868 4.199 -1.712 1.00 0.00 H new ATOM 1941 N PRO A 125 127.877 7.086 -0.427 1.00 0.00 N ATOM 1942 CA PRO A 125 128.557 8.305 -0.896 1.00 0.00 C ATOM 1943 C PRO A 125 127.605 9.271 -1.613 1.00 0.00 C ATOM 1944 O PRO A 125 127.298 10.346 -1.051 1.00 0.00 O ATOM 1945 CB PRO A 125 129.641 7.780 -1.861 1.00 0.00 C ATOM 1946 CG PRO A 125 129.312 6.339 -2.084 1.00 0.00 C ATOM 1947 CD PRO A 125 128.611 5.884 -0.843 1.00 0.00 C ATOM 1948 OXT PRO A 125 127.108 8.937 -2.720 1.00 0.00 O ATOM 0 HA PRO A 125 128.964 8.882 -0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 125 129.633 8.334 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 125 130.637 7.894 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 125 128.676 6.214 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 125 130.215 5.754 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 125 127.940 5.048 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 125 129.314 5.554 -0.078 1.00 0.00 H new TER 1956 PRO A 125